4-[2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile

C17H12N6 — CID 118078530

IUPAC4-[2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile
SMILESCc1cc2nc(-n3nccn3)ccc2n1-c1ccc(C#N)cc1
InChIInChI=1S/C17H12N6/c1-12-10-15-16(6-7-17(21-15)23-19-8-9-20-23)22(12)14-4-2-13(11-18)3-5-14/h2-10H,1H3
InChIKeySGAZOSFEHPELQR-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.79
Rot. Bonds2

About 4-[2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile

4-[2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile (PubChem CID 118078530) has the molecular formula C17H12N6 and a molecular weight of 300.33 g/mol. Its IUPAC name is 4-[2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile
PubChem CID118078530
Molecular FormulaC17H12N6
Molecular Weight300.33 g/mol
Exact Mass300.11
IUPAC Name4-[2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile
SMILESCc1cc2nc(-n3nccn3)ccc2n1-c1ccc(C#N)cc1
InChIInChI=1S/C17H12N6/c1-12-10-15-16(6-7-17(21-15)23-19-8-9-20-23)22(12)14-4-2-13(11-18)3-5-14/h2-10H,1H3
InChIKeySGAZOSFEHPELQR-UHFFFAOYSA-N
XLogP2.79
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,6-dimethylindol-1-yl)benzonitrile
CID 118086140
ethane;4-(2,3,5-trimethylpyrrol-1-yl)benzonitrile
CID 153386821
4-(6-fluoro-2-methylbenzimidazol-1-yl)benzonitrile
CID 83418617
2-methyl-1-pyrimidin-2-ylindole-5-carbonitrile
CID 170694386
4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 15005396
4-(2-chlorobenzimidazol-1-yl)benzonitrile
CID 68907266
4-(4,5-dimethyltriazol-2-yl)benzonitrile
CID 171625810
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
4-[3,6-bis(5,6-dimethyl-1,3-benzoxazol-2-yl)carbazol-9-yl]benzonitrile
CID 171431231
4-(5-fluoro-2-methylpyrrolo[3,2-b]pyridin-1-yl)-3-(2-methylpropyl)benzonitrile
CID 123173708
4-[(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)methylideneamino]benzonitrile
CID 23961215
ethyl 3-[1-(4-cyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]butanoate
CID 118078486

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile?
The IUPAC name of 4-[2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile (CID 118078530) is 4-[2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile.
What is the SMILES notation for 4-[2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile?
The canonical SMILES for 4-[2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile is Cc1cc2nc(-n3nccn3)ccc2n1-c1ccc(C#N)cc1.
What is the InChIKey of 4-[2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile?
The InChIKey is SGAZOSFEHPELQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6/c1-12-10-15-16(6-7-17(21-15)23-19-8-9-20-23)22(12)14-4-2-13(11-18)3-5-14/h2-10H,1H3.
What are the key properties of 4-[2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile?
4-[2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile has a molecular weight of 300.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile is sourced from PubChem (CID 118078530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).