Home > Compound List > Compound details
58502-29-7 molecular structure
click picture or here to close

N-methyl-1H-1,2,4-triazol-5-amine

ChemBase ID: 811104
Molecular Formular: C3H6N4
Molecular Mass: 98.10654
Monoisotopic Mass: 98.05924621
SMILES and InChIs

SMILES:
N(C)c1[nH]ncn1
Canonical SMILES:
CNc1ncn[nH]1
InChI:
InChI=1S/C3H6N4/c1-4-3-5-2-6-7-3/h2H,1H3,(H2,4,5,6,7)
InChIKey:
NOWPYQNOYJQXPV-UHFFFAOYSA-N

Cite this record

CBID:811104 http://www.chembase.cn/molecule-811104.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methyl-1H-1,2,4-triazol-5-amine
IUPAC Traditional name
N-methyl-2H-1,2,4-triazol-3-amine
Synonyms
2H-[1,2,4]TRIAZOL-3-YL-METHYLAMINE
CAS Number
58502-29-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O30155 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O30155 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.502258  H Acceptors
H Donor LogD (pH = 5.5) -0.2585923 
LogD (pH = 7.4) -0.28433126  Log P -0.2520617 
Molar Refractivity 28.5866 cm3 Polarizability 9.279183 Å3
Polar Surface Area 53.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle