2,6-dimethyl-4-(5-phenyltetrazol-2-yl)pyridine-3-carbonitrile

C15H12N6 — CID 81059879

IUPAC2,6-dimethyl-4-(5-phenyltetrazol-2-yl)pyridine-3-carbonitrile
SMILESCc1cc(-n2nnc(-c3ccccc3)n2)c(C#N)c(C)n1
InChIInChI=1S/C15H12N6/c1-10-8-14(13(9-16)11(2)17-10)21-19-15(18-20-21)12-6-4-3-5-7-12/h3-8H,1-2H3
InChIKeyPJKAOOSSIGLKOL-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.21
Rot. Bonds2

About 2,6-dimethyl-4-(5-phenyltetrazol-2-yl)pyridine-3-carbonitrile

2,6-dimethyl-4-(5-phenyltetrazol-2-yl)pyridine-3-carbonitrile (PubChem CID 81059879) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2,6-dimethyl-4-(5-phenyltetrazol-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-(5-phenyltetrazol-2-yl)pyridine-3-carbonitrile
PubChem CID81059879
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name2,6-dimethyl-4-(5-phenyltetrazol-2-yl)pyridine-3-carbonitrile
SMILESCc1cc(-n2nnc(-c3ccccc3)n2)c(C#N)c(C)n1
InChIInChI=1S/C15H12N6/c1-10-8-14(13(9-16)11(2)17-10)21-19-15(18-20-21)12-6-4-3-5-7-12/h3-8H,1-2H3
InChIKeyPJKAOOSSIGLKOL-UHFFFAOYSA-N
XLogP2.21
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-6-(5-phenyltetrazol-2-yl)benzonitrile
CID 78911068
5-fluoro-2-(5-phenyltetrazol-2-yl)benzonitrile
CID 63668025
4-indazol-1-yl-2,6-dimethylpyridine-3-carbonitrile
CID 81060210
2-(2-ethylphenyl)-5-phenyltetrazole
CID 23606527
4-(4,5-dimethylimidazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 81060395
3-fluoro-5-(5-phenyltetrazol-2-yl)benzonitrile
CID 72660942
[4-methyl-3-(5-phenyltetrazol-2-yl)phenyl]methanamine
CID 105406132
[3-methyl-4-(5-phenyltetrazol-2-yl)phenyl]methanamine
CID 62125454
2-[5-(4-methylphenyl)tetrazol-2-yl]-5-nitrobenzonitrile
CID 9196006
2-methyl-4,6-diphenylpyridine-3-carbonitrile
CID 4135564
N-methyl-1-[4-methyl-2-(5-phenyltetrazol-2-yl)pyrimidin-5-yl]methanamine
CID 83185235
2,6-dimethyl-4-[4-(2-phenoxyethyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 133396442

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(5-phenyltetrazol-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-(5-phenyltetrazol-2-yl)pyridine-3-carbonitrile (CID 81059879) is 2,6-dimethyl-4-(5-phenyltetrazol-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-(5-phenyltetrazol-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-(5-phenyltetrazol-2-yl)pyridine-3-carbonitrile is Cc1cc(-n2nnc(-c3ccccc3)n2)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-(5-phenyltetrazol-2-yl)pyridine-3-carbonitrile?
The InChIKey is PJKAOOSSIGLKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6/c1-10-8-14(13(9-16)11(2)17-10)21-19-15(18-20-21)12-6-4-3-5-7-12/h3-8H,1-2H3.
What are the key properties of 2,6-dimethyl-4-(5-phenyltetrazol-2-yl)pyridine-3-carbonitrile?
2,6-dimethyl-4-(5-phenyltetrazol-2-yl)pyridine-3-carbonitrile has a molecular weight of 276.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(5-phenyltetrazol-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 81059879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).