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175204-67-8 molecular structure
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4-amino-6-cyclopropyl-1,3,5-triazin-2-ol

ChemBase ID: 84444
Molecular Formular: C6H8N4O
Molecular Mass: 152.15392
Monoisotopic Mass: 152.0698109
SMILES and InChIs

SMILES:
n1c(nc(nc1C1CC1)O)N
Canonical SMILES:
Nc1nc(O)nc(n1)C1CC1
InChI:
InChI=1S/C6H8N4O/c7-5-8-4(3-1-2-3)9-6(11)10-5/h3H,1-2H2,(H3,7,8,9,10,11)
InChIKey:
KZULJRIAAGBPGO-UHFFFAOYSA-N

Cite this record

CBID:84444 http://www.chembase.cn/molecule-84444.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-6-cyclopropyl-1,3,5-triazin-2-ol
IUPAC Traditional name
4-amino-6-cyclopropyl-1,3,5-triazin-2-ol
Synonyms
4-Amino-6-cyclopropyl-1,3,5-triazin-2-ol
CAS Number
175204-67-8
MDL Number
MFCD00052766
PubChem SID
162071560
PubChem CID
2782098

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR27319 external link Add to cart Please log in.
Data Source Data ID
PubChem 2782098 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.8517  H Acceptors
H Donor LogD (pH = 5.5) 1.2178749 
LogD (pH = 7.4) 1.2179197  Log P 1.2179203 
Molar Refractivity 41.1185 cm3 Polarizability 14.204095 Å3
Polar Surface Area 84.92 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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