2-phenyl-N-propyltetrazole-5-carboxamide

C11H13N5O — CID 71791264

IUPAC2-phenyl-N-propyltetrazole-5-carboxamide
SMILESCCCNC(=O)c1nnn(-c2ccccc2)n1
InChIInChI=1S/C11H13N5O/c1-2-8-12-11(17)10-13-15-16(14-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,17)
InChIKeyGHVWTKUJHYDPSL-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.80
Rot. Bonds4

About 2-phenyl-N-propyltetrazole-5-carboxamide

2-phenyl-N-propyltetrazole-5-carboxamide (PubChem CID 71791264) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-phenyl-N-propyltetrazole-5-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-propyltetrazole-5-carboxamide
PubChem CID71791264
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name2-phenyl-N-propyltetrazole-5-carboxamide
SMILESCCCNC(=O)c1nnn(-c2ccccc2)n1
InChIInChI=1S/C11H13N5O/c1-2-8-12-11(17)10-13-15-16(14-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,17)
InChIKeyGHVWTKUJHYDPSL-UHFFFAOYSA-N
XLogP0.80
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-phenyltetrazole-5-carboxamide
CID 71791263
N-(4-methylphenyl)-2-phenyltetrazole-5-carboxamide
CID 71791280
1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
CID 50745472
N-(3-methoxypropyl)-2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carboxamide
CID 71791626
5-[(2E)-5-methylhexa-2,4-dien-2-yl]-2-phenyltetrazole
CID 142018776
(2-chlorophenyl)-(2-phenyltetrazol-5-yl)methanone
CID 146167334
5-(3-methoxyphenyl)-1-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
CID 17052437
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)tetrazole-5-carboxamide
CID 71791372
N-[2-(1H-indol-3-yl)ethyl]-2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carboxamide
CID 71791639
4-methoxy-6-oxo-1-phenyl-N-propylpyridazine-3-carboxamide
CID 8553881
3-[[(2-phenyltriazol-4-yl)methylamino]methyl]-N-propylbenzamide
CID 60614443
3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide
CID 42754882

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-propyltetrazole-5-carboxamide?
The IUPAC name of 2-phenyl-N-propyltetrazole-5-carboxamide (CID 71791264) is 2-phenyl-N-propyltetrazole-5-carboxamide.
What is the SMILES notation for 2-phenyl-N-propyltetrazole-5-carboxamide?
The canonical SMILES for 2-phenyl-N-propyltetrazole-5-carboxamide is CCCNC(=O)c1nnn(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-propyltetrazole-5-carboxamide?
The InChIKey is GHVWTKUJHYDPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-2-8-12-11(17)10-13-15-16(14-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,17).
What are the key properties of 2-phenyl-N-propyltetrazole-5-carboxamide?
2-phenyl-N-propyltetrazole-5-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-propyltetrazole-5-carboxamide is sourced from PubChem (CID 71791264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).