2-cyano-N-[4-(5-methyltetrazol-2-yl)phenyl]acetamide

C11H10N6O — CID 168523381

IUPAC2-cyano-N-[4-(5-methyltetrazol-2-yl)phenyl]acetamide
SMILESCc1nnn(-c2ccc(NC(=O)CC#N)cc2)n1
InChIInChI=1S/C11H10N6O/c1-8-14-16-17(15-8)10-4-2-9(3-5-10)13-11(18)6-7-12/h2-5H,6H2,1H3,(H,13,18)
InChIKeyVBSZDVBQSNUDBG-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.82
Rot. Bonds3

About 2-cyano-N-[4-(5-methyltetrazol-2-yl)phenyl]acetamide

2-cyano-N-[4-(5-methyltetrazol-2-yl)phenyl]acetamide (PubChem CID 168523381) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-cyano-N-[4-(5-methyltetrazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-(5-methyltetrazol-2-yl)phenyl]acetamide
PubChem CID168523381
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name2-cyano-N-[4-(5-methyltetrazol-2-yl)phenyl]acetamide
SMILESCc1nnn(-c2ccc(NC(=O)CC#N)cc2)n1
InChIInChI=1S/C11H10N6O/c1-8-14-16-17(15-8)10-4-2-9(3-5-10)13-11(18)6-7-12/h2-5H,6H2,1H3,(H,13,18)
InChIKeyVBSZDVBQSNUDBG-UHFFFAOYSA-N
XLogP0.82
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-cyano-N-[4-(5-methyltetrazol-2-yl)phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(5-methyltetrazol-2-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168609780
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-cyanoacetamide
CID 168521649
4-(5-methyltetrazol-2-yl)benzonitrile
CID 129139556
2-cyano-N-(4-pyrrol-1-ylphenyl)acetamide
CID 110470122
2-cyano-N-(2-methylpyrimidin-5-yl)acetamide
CID 130643403
4-[(2-cyanoacetyl)amino]benzoic acid
CID 857628
2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
4-[(2-cyanoacetyl)amino]-N-methylbenzamide
CID 168524250
2-[4-(5-ethyltetrazol-2-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168609782
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606
2-cyano-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide
CID 168523626

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(5-methyltetrazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-(5-methyltetrazol-2-yl)phenyl]acetamide (CID 168523381) is 2-cyano-N-[4-(5-methyltetrazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-(5-methyltetrazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-(5-methyltetrazol-2-yl)phenyl]acetamide is Cc1nnn(-c2ccc(NC(=O)CC#N)cc2)n1.
What is the InChIKey of 2-cyano-N-[4-(5-methyltetrazol-2-yl)phenyl]acetamide?
The InChIKey is VBSZDVBQSNUDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c1-8-14-16-17(15-8)10-4-2-9(3-5-10)13-11(18)6-7-12/h2-5H,6H2,1H3,(H,13,18).
What are the key properties of 2-cyano-N-[4-(5-methyltetrazol-2-yl)phenyl]acetamide?
2-cyano-N-[4-(5-methyltetrazol-2-yl)phenyl]acetamide has a molecular weight of 242.24 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(5-methyltetrazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 168523381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).