5,7-diamino-3-phenyltriazolo[4,5-b]pyridine-6-carbonitrile

C12H9N7 — CID 155816991

IUPAC5,7-diamino-3-phenyltriazolo[4,5-b]pyridine-6-carbonitrile
SMILESN#Cc1c(N)nc2c(nnn2-c2ccccc2)c1N
InChIInChI=1S/C12H9N7/c13-6-8-9(14)10-12(16-11(8)15)19(18-17-10)7-4-2-1-3-5-7/h1-5H,(H4,14,15,16)
InChIKeyOFFRKZIUFVUDRU-UHFFFAOYSA-N
MW251.25 g/mol
LogP0.85
Rot. Bonds1

About 5,7-diamino-3-phenyltriazolo[4,5-b]pyridine-6-carbonitrile

5,7-diamino-3-phenyltriazolo[4,5-b]pyridine-6-carbonitrile (PubChem CID 155816991) has the molecular formula C12H9N7 and a molecular weight of 251.25 g/mol. Its IUPAC name is 5,7-diamino-3-phenyltriazolo[4,5-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name5,7-diamino-3-phenyltriazolo[4,5-b]pyridine-6-carbonitrile
PubChem CID155816991
Molecular FormulaC12H9N7
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC Name5,7-diamino-3-phenyltriazolo[4,5-b]pyridine-6-carbonitrile
SMILESN#Cc1c(N)nc2c(nnn2-c2ccccc2)c1N
InChIInChI=1S/C12H9N7/c13-6-8-9(14)10-12(16-11(8)15)19(18-17-10)7-4-2-1-3-5-7/h1-5H,(H4,14,15,16)
InChIKeyOFFRKZIUFVUDRU-UHFFFAOYSA-N
XLogP0.85
TPSA119.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5,7-diamino-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile
CID 11108726
3-phenyltriazolo[4,5-d]pyrimidine-5-carbonitrile
CID 23258943
5-chloro-7-methyl-3-phenyltriazolo[4,5-d]pyrimidine
CID 23258932
4,6-diamino-2-oxo-1-phenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 2325122
5-amino-1-phenyl-3-(sulfanylmethyl)pyrazole-4-carbonitrile
CID 138811067
4,6-diamino-3-phenylpyridine-2,5-dicarbonitrile
CID 91973425
6-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 4890247
6-amino-4-(1H-indol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 4886426
1-phenyltetrazole-5-carbonitrile
CID 12718731
N,3-diphenyltriazolo[4,5-d]pyrimidin-7-amine
CID 12587858
6-amino-3-methyl-1-phenyl-4-(2,3,4-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 4896111
6,8-diamino-3-imino-2-(3-methoxyphenyl)pyrido[3,2-c]pyridazine-4,7-dicarbonitrile
CID 134914275

Frequently Asked Questions

What is the IUPAC name of 5,7-diamino-3-phenyltriazolo[4,5-b]pyridine-6-carbonitrile?
The IUPAC name of 5,7-diamino-3-phenyltriazolo[4,5-b]pyridine-6-carbonitrile (CID 155816991) is 5,7-diamino-3-phenyltriazolo[4,5-b]pyridine-6-carbonitrile.
What is the SMILES notation for 5,7-diamino-3-phenyltriazolo[4,5-b]pyridine-6-carbonitrile?
The canonical SMILES for 5,7-diamino-3-phenyltriazolo[4,5-b]pyridine-6-carbonitrile is N#Cc1c(N)nc2c(nnn2-c2ccccc2)c1N.
What is the InChIKey of 5,7-diamino-3-phenyltriazolo[4,5-b]pyridine-6-carbonitrile?
The InChIKey is OFFRKZIUFVUDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N7/c13-6-8-9(14)10-12(16-11(8)15)19(18-17-10)7-4-2-1-3-5-7/h1-5H,(H4,14,15,16).
What are the key properties of 5,7-diamino-3-phenyltriazolo[4,5-b]pyridine-6-carbonitrile?
5,7-diamino-3-phenyltriazolo[4,5-b]pyridine-6-carbonitrile has a molecular weight of 251.25 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diamino-3-phenyltriazolo[4,5-b]pyridine-6-carbonitrile is sourced from PubChem (CID 155816991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).