N-(4-methylphenyl)-2-phenyltetrazole-5-carboxamide

C15H13N5O — CID 71791280

IUPACN-(4-methylphenyl)-2-phenyltetrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2nnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H13N5O/c1-11-7-9-12(10-8-11)16-15(21)14-17-19-20(18-14)13-5-3-2-4-6-13/h2-10H,1H3,(H,16,21)
InChIKeyCQYYTAHYSKMOPP-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.22
Rot. Bonds3

About N-(4-methylphenyl)-2-phenyltetrazole-5-carboxamide

N-(4-methylphenyl)-2-phenyltetrazole-5-carboxamide (PubChem CID 71791280) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-phenyltetrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-phenyltetrazole-5-carboxamide
PubChem CID71791280
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC NameN-(4-methylphenyl)-2-phenyltetrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2nnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H13N5O/c1-11-7-9-12(10-8-11)16-15(21)14-17-19-20(18-14)13-5-3-2-4-6-13/h2-10H,1H3,(H,16,21)
InChIKeyCQYYTAHYSKMOPP-UHFFFAOYSA-N
XLogP2.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylsulfonylphenyl)-2-phenyltetrazole-5-carboxamide
CID 71791318
N-methyl-2-phenyltetrazole-5-carboxamide
CID 71791263
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)tetrazole-5-carboxamide
CID 71791342
N-(4-acetylphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide
CID 71791443
2-phenyl-N-propyltetrazole-5-carboxamide
CID 71791264
N-[4-(carbamoylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 33151610
N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 8760225
4-methyl-N-[4-[5-(pyrrolidine-1-carbonyl)tetrazol-2-yl]phenyl]thiophene-2-carboxamide
CID 71792316
N-cyclopropyl-2-[4-[[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]tetrazole-5-carboxamide
CID 95380268
N-(4-acetylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 8712853
3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927948
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-phenyltetrazole-5-carboxamide?
The IUPAC name of N-(4-methylphenyl)-2-phenyltetrazole-5-carboxamide (CID 71791280) is N-(4-methylphenyl)-2-phenyltetrazole-5-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-2-phenyltetrazole-5-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-2-phenyltetrazole-5-carboxamide is Cc1ccc(NC(=O)c2nnn(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-phenyltetrazole-5-carboxamide?
The InChIKey is CQYYTAHYSKMOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-11-7-9-12(10-8-11)16-15(21)14-17-19-20(18-14)13-5-3-2-4-6-13/h2-10H,1H3,(H,16,21).
What are the key properties of N-(4-methylphenyl)-2-phenyltetrazole-5-carboxamide?
N-(4-methylphenyl)-2-phenyltetrazole-5-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-phenyltetrazole-5-carboxamide is sourced from PubChem (CID 71791280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).