Home > Compound List > Compound details
870992-11-3 molecular structure
click picture or here to close

1-(propan-2-yl)-1H-1,2,4-triazol-5-amine

ChemBase ID: 307619
Molecular Formular: C5H10N4
Molecular Mass: 126.1597
Monoisotopic Mass: 126.09054634
SMILES and InChIs

SMILES:
c1(n(ncn1)C(C)C)N
Canonical SMILES:
CC(n1ncnc1N)C
InChI:
InChI=1S/C5H10N4/c1-4(2)9-5(6)7-3-8-9/h3-4H,1-2H3,(H2,6,7,8)
InChIKey:
IBNNFEVLLHJPJT-UHFFFAOYSA-N

Cite this record

CBID:307619 http://www.chembase.cn/molecule-307619.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(propan-2-yl)-1H-1,2,4-triazol-5-amine
IUPAC Traditional name
2-isopropyl-1,2,4-triazol-3-amine
Synonyms
1-isopropyl-1H-1,2,4-triazol-5-amine
CAS Number
870992-11-3
MDL Number
MFCD08060054

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4018382 external link Add to cart
Data Source Data ID Price
ChemBridge
4018382 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.29724124  LogD (pH = 7.4) 0.3426802 
Log P 0.34329325  Molar Refractivity 47.4766 cm3
Polarizability 12.854757 Å3 Polar Surface Area 56.73 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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