4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzonitrile

C21H14N6 — CID 57457097

IUPAC4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cn2c3ccccc3c3cc(-c4nn[nH]n4)ccc32)cc1
InChIInChI=1S/C21H14N6/c22-12-14-5-7-15(8-6-14)13-27-19-4-2-1-3-17(19)18-11-16(9-10-20(18)27)21-23-25-26-24-21/h1-11H,13H2,(H,23,24,25,26)
InChIKeyFQAMWUASOOBEKW-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.89
Rot. Bonds3

About 4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzonitrile

4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzonitrile (PubChem CID 57457097) has the molecular formula C21H14N6 and a molecular weight of 350.39 g/mol. Its IUPAC name is 4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzonitrile
PubChem CID57457097
Molecular FormulaC21H14N6
Molecular Weight350.39 g/mol
Exact Mass350.13
IUPAC Name4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cn2c3ccccc3c3cc(-c4nn[nH]n4)ccc32)cc1
InChIInChI=1S/C21H14N6/c22-12-14-5-7-15(8-6-14)13-27-19-4-2-1-3-17(19)18-11-16(9-10-20(18)27)21-23-25-26-24-21/h1-11H,13H2,(H,23,24,25,26)
InChIKeyFQAMWUASOOBEKW-UHFFFAOYSA-N
XLogP3.89
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzonitrile?
The IUPAC name of 4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzonitrile (CID 57457097) is 4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzonitrile is N#Cc1ccc(Cn2c3ccccc3c3cc(-c4nn[nH]n4)ccc32)cc1.
What is the InChIKey of 4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzonitrile?
The InChIKey is FQAMWUASOOBEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N6/c22-12-14-5-7-15(8-6-14)13-27-19-4-2-1-3-17(19)18-11-16(9-10-20(18)27)21-23-25-26-24-21/h1-11H,13H2,(H,23,24,25,26).
What are the key properties of 4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzonitrile?
4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzonitrile has a molecular weight of 350.39 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzonitrile is sourced from PubChem (CID 57457097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).