2-phenyl-N-pyridin-4-yltetrazole-5-carboxamide

C13H10N6O — CID 71791293

IUPAC2-phenyl-N-pyridin-4-yltetrazole-5-carboxamide
SMILESO=C(Nc1ccncc1)c1nnn(-c2ccccc2)n1
InChIInChI=1S/C13H10N6O/c20-13(15-10-6-8-14-9-7-10)12-16-18-19(17-12)11-4-2-1-3-5-11/h1-9H,(H,14,15,20)
InChIKeyVPJWOTCVJLEDPY-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.31
Rot. Bonds3

About 2-phenyl-N-pyridin-4-yltetrazole-5-carboxamide

2-phenyl-N-pyridin-4-yltetrazole-5-carboxamide (PubChem CID 71791293) has the molecular formula C13H10N6O and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-phenyl-N-pyridin-4-yltetrazole-5-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-pyridin-4-yltetrazole-5-carboxamide
PubChem CID71791293
Molecular FormulaC13H10N6O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name2-phenyl-N-pyridin-4-yltetrazole-5-carboxamide
SMILESO=C(Nc1ccncc1)c1nnn(-c2ccccc2)n1
InChIInChI=1S/C13H10N6O/c20-13(15-10-6-8-14-9-7-10)12-16-18-19(17-12)11-4-2-1-3-5-11/h1-9H,(H,14,15,20)
InChIKeyVPJWOTCVJLEDPY-UHFFFAOYSA-N
XLogP1.31
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-pyridin-4-yltetrazole-5-carboxamide?
The IUPAC name of 2-phenyl-N-pyridin-4-yltetrazole-5-carboxamide (CID 71791293) is 2-phenyl-N-pyridin-4-yltetrazole-5-carboxamide.
What is the SMILES notation for 2-phenyl-N-pyridin-4-yltetrazole-5-carboxamide?
The canonical SMILES for 2-phenyl-N-pyridin-4-yltetrazole-5-carboxamide is O=C(Nc1ccncc1)c1nnn(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-pyridin-4-yltetrazole-5-carboxamide?
The InChIKey is VPJWOTCVJLEDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O/c20-13(15-10-6-8-14-9-7-10)12-16-18-19(17-12)11-4-2-1-3-5-11/h1-9H,(H,14,15,20).
What are the key properties of 2-phenyl-N-pyridin-4-yltetrazole-5-carboxamide?
2-phenyl-N-pyridin-4-yltetrazole-5-carboxamide has a molecular weight of 266.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-pyridin-4-yltetrazole-5-carboxamide is sourced from PubChem (CID 71791293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).