4,7-diphenyl-2H-triazolo[4,5-c]pyridine-6-carbonitrile

C18H11N5 — CID 13077761

IUPAC4,7-diphenyl-2H-triazolo[4,5-c]pyridine-6-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)c2n[nH]nc2c1-c1ccccc1
InChIInChI=1S/C18H11N5/c19-11-14-15(12-7-3-1-4-8-12)17-18(22-23-21-17)16(20-14)13-9-5-2-6-10-13/h1-10H,(H,21,22,23)
InChIKeyCKXNHARFXFKAII-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.56
Rot. Bonds2

About 4,7-diphenyl-2H-triazolo[4,5-c]pyridine-6-carbonitrile

4,7-diphenyl-2H-triazolo[4,5-c]pyridine-6-carbonitrile (PubChem CID 13077761) has the molecular formula C18H11N5 and a molecular weight of 297.32 g/mol. Its IUPAC name is 4,7-diphenyl-2H-triazolo[4,5-c]pyridine-6-carbonitrile.

Molecular Properties

Compound Name4,7-diphenyl-2H-triazolo[4,5-c]pyridine-6-carbonitrile
PubChem CID13077761
Molecular FormulaC18H11N5
Molecular Weight297.32 g/mol
Exact Mass297.10
IUPAC Name4,7-diphenyl-2H-triazolo[4,5-c]pyridine-6-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)c2n[nH]nc2c1-c1ccccc1
InChIInChI=1S/C18H11N5/c19-11-14-15(12-7-3-1-4-8-12)17-18(22-23-21-17)16(20-14)13-9-5-2-6-10-13/h1-10H,(H,21,22,23)
InChIKeyCKXNHARFXFKAII-UHFFFAOYSA-N
XLogP3.56
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,7-triphenylpyrazolo[4,3-c]pyridine-6-carbonitrile
CID 13016006
3,5,6-triphenylpyrazine-2-carbonitrile
CID 134914114
16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile
CID 71131770
1,3,4,7-tetraphenylthieno[3,4-c]pyridine-6-carbonitrile
CID 13154154
4,5-diphenyl-2H-triazole
CID 613500
5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile
CID 13336955
3-isocyano-5,6-diphenylpyrazine-2-carbonitrile
CID 140658534
2-[3-[3-(6-cyano-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridin-2-yl)phenyl]phenyl]-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridine-6-carbonitrile
CID 148945322
3-methyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 132530624
3-(3-cyano-4-fluorophenyl)-5,6-diphenylpyrazine-2-carbonitrile
CID 167011867
4-[4-[4-(2,5,6-triphenylpyrimidin-4-yl)phenyl]phenyl]benzonitrile
CID 139525696
3-amino-5-methyl-6-phenylpyrazine-2-carbonitrile
CID 20567061

Frequently Asked Questions

What is the IUPAC name of 4,7-diphenyl-2H-triazolo[4,5-c]pyridine-6-carbonitrile?
The IUPAC name of 4,7-diphenyl-2H-triazolo[4,5-c]pyridine-6-carbonitrile (CID 13077761) is 4,7-diphenyl-2H-triazolo[4,5-c]pyridine-6-carbonitrile.
What is the SMILES notation for 4,7-diphenyl-2H-triazolo[4,5-c]pyridine-6-carbonitrile?
The canonical SMILES for 4,7-diphenyl-2H-triazolo[4,5-c]pyridine-6-carbonitrile is N#Cc1nc(-c2ccccc2)c2n[nH]nc2c1-c1ccccc1.
What is the InChIKey of 4,7-diphenyl-2H-triazolo[4,5-c]pyridine-6-carbonitrile?
The InChIKey is CKXNHARFXFKAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N5/c19-11-14-15(12-7-3-1-4-8-12)17-18(22-23-21-17)16(20-14)13-9-5-2-6-10-13/h1-10H,(H,21,22,23).
What are the key properties of 4,7-diphenyl-2H-triazolo[4,5-c]pyridine-6-carbonitrile?
4,7-diphenyl-2H-triazolo[4,5-c]pyridine-6-carbonitrile has a molecular weight of 297.32 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diphenyl-2H-triazolo[4,5-c]pyridine-6-carbonitrile is sourced from PubChem (CID 13077761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).