5-(2-methyl-6-phenylphenyl)-2H-tetrazole;hydrate

C14H14N4O — CID 172761418

IUPAC5-(2-methyl-6-phenylphenyl)-2H-tetrazole;hydrate
SMILESCc1cccc(-c2ccccc2)c1-c1nn[nH]n1.O
InChIInChI=1S/C14H12N4.H2O/c1-10-6-5-9-12(11-7-3-2-4-8-11)13(10)14-15-17-18-16-14;/h2-9H,1H3,(H,15,16,17,18);1H2
InChIKeyLSTAZNRGEVKCPL-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.02
Rot. Bonds2

About 5-(2-methyl-6-phenylphenyl)-2H-tetrazole;hydrate

5-(2-methyl-6-phenylphenyl)-2H-tetrazole;hydrate (PubChem CID 172761418) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-(2-methyl-6-phenylphenyl)-2H-tetrazole;hydrate.

Molecular Properties

Compound Name5-(2-methyl-6-phenylphenyl)-2H-tetrazole;hydrate
PubChem CID172761418
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-(2-methyl-6-phenylphenyl)-2H-tetrazole;hydrate
SMILESCc1cccc(-c2ccccc2)c1-c1nn[nH]n1.O
InChIInChI=1S/C14H12N4.H2O/c1-10-6-5-9-12(11-7-3-2-4-8-11)13(10)14-15-17-18-16-14;/h2-9H,1H3,(H,15,16,17,18);1H2
InChIKeyLSTAZNRGEVKCPL-UHFFFAOYSA-N
XLogP2.02
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-methyl-6-phenylphenyl)-2H-tetrazole;hydrate 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 5-(2-methyl-6-phenylphenyl)-2H-tetrazole;hydrate?
The IUPAC name of 5-(2-methyl-6-phenylphenyl)-2H-tetrazole;hydrate (CID 172761418) is 5-(2-methyl-6-phenylphenyl)-2H-tetrazole;hydrate.
What is the SMILES notation for 5-(2-methyl-6-phenylphenyl)-2H-tetrazole;hydrate?
The canonical SMILES for 5-(2-methyl-6-phenylphenyl)-2H-tetrazole;hydrate is Cc1cccc(-c2ccccc2)c1-c1nn[nH]n1.O.
What is the InChIKey of 5-(2-methyl-6-phenylphenyl)-2H-tetrazole;hydrate?
The InChIKey is LSTAZNRGEVKCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4.H2O/c1-10-6-5-9-12(11-7-3-2-4-8-11)13(10)14-15-17-18-16-14;/h2-9H,1H3,(H,15,16,17,18);1H2.
What are the key properties of 5-(2-methyl-6-phenylphenyl)-2H-tetrazole;hydrate?
5-(2-methyl-6-phenylphenyl)-2H-tetrazole;hydrate has a molecular weight of 254.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-6-phenylphenyl)-2H-tetrazole;hydrate is sourced from PubChem (CID 172761418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).