N-methyl-5-oxo-N,4-diphenyltetrazole-1-carboxamide

C15H13N5O2 — CID 14857263

IUPACN-methyl-5-oxo-N,4-diphenyltetrazole-1-carboxamide
SMILESCN(C(=O)n1nnn(-c2ccccc2)c1=O)c1ccccc1
InChIInChI=1S/C15H13N5O2/c1-18(12-8-4-2-5-9-12)14(21)20-15(22)19(16-17-20)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyLHNCKKZSAXTZDA-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.53
Rot. Bonds2

About N-methyl-5-oxo-N,4-diphenyltetrazole-1-carboxamide

N-methyl-5-oxo-N,4-diphenyltetrazole-1-carboxamide (PubChem CID 14857263) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-methyl-5-oxo-N,4-diphenyltetrazole-1-carboxamide.

Molecular Properties

Compound NameN-methyl-5-oxo-N,4-diphenyltetrazole-1-carboxamide
PubChem CID14857263
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC NameN-methyl-5-oxo-N,4-diphenyltetrazole-1-carboxamide
SMILESCN(C(=O)n1nnn(-c2ccccc2)c1=O)c1ccccc1
InChIInChI=1S/C15H13N5O2/c1-18(12-8-4-2-5-9-12)14(21)20-15(22)19(16-17-20)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyLHNCKKZSAXTZDA-UHFFFAOYSA-N
XLogP1.53
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amidotetrazole', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropyl)-5-oxo-4-phenyl-N-propan-2-yltetrazole-1-carboxamide
CID 22167298
4-(2,6-difluorophenyl)-N-methyl-5-oxo-N-[4-(2-phenylethynyl)phenyl]tetrazole-1-carboxamide
CID 58502052
4-(2,6-dichlorophenyl)-N-ethyl-5-oxo-N-phenyltetrazole-1-carboxamide
CID 58502246
4-(2-chlorophenyl)-5-oxo-N-phenyl-N-propyltetrazole-1-carboxamide
CID 123556058
4-(cyclohexen-1-yl)-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide
CID 19028659
N-methyl-N-phenyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide
CID 78815853
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-methyl-N-phenylpropanamide
CID 134033635
6-chloro-N-methyl-N-phenylbenzotriazole-1-carboxamide
CID 66682959
5-bromo-N-methyl-N-phenylbenzotriazole-1-carboxamide
CID 66688318
N-methyl-N,4-diphenylpiperazine-1-carboxamide
CID 890140
4-(2-chloroethyl)-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide
CID 18924584
(2R)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide
CID 7474072

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-oxo-N,4-diphenyltetrazole-1-carboxamide?
The IUPAC name of N-methyl-5-oxo-N,4-diphenyltetrazole-1-carboxamide (CID 14857263) is N-methyl-5-oxo-N,4-diphenyltetrazole-1-carboxamide.
What is the SMILES notation for N-methyl-5-oxo-N,4-diphenyltetrazole-1-carboxamide?
The canonical SMILES for N-methyl-5-oxo-N,4-diphenyltetrazole-1-carboxamide is CN(C(=O)n1nnn(-c2ccccc2)c1=O)c1ccccc1.
What is the InChIKey of N-methyl-5-oxo-N,4-diphenyltetrazole-1-carboxamide?
The InChIKey is LHNCKKZSAXTZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-18(12-8-4-2-5-9-12)14(21)20-15(22)19(16-17-20)13-10-6-3-7-11-13/h2-11H,1H3.
What are the key properties of N-methyl-5-oxo-N,4-diphenyltetrazole-1-carboxamide?
N-methyl-5-oxo-N,4-diphenyltetrazole-1-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-N,4-diphenyltetrazole-1-carboxamide is sourced from PubChem (CID 14857263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).