2-[4-(2H-tetrazol-5-yl)anilino]-1H-pyridin-4-one

C12H10N6O — CID 154975182

IUPAC2-[4-(2H-tetrazol-5-yl)anilino]-1H-pyridin-4-one
SMILESO=c1cc[nH]c(Nc2ccc(-c3nn[nH]n3)cc2)c1
InChIInChI=1S/C12H10N6O/c19-10-5-6-13-11(7-10)14-9-3-1-8(2-4-9)12-15-17-18-16-12/h1-7H,(H2,13,14,19)(H,15,16,17,18)
InChIKeyONTDBLARSMLRRV-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.30
Rot. Bonds3

About 2-[4-(2H-tetrazol-5-yl)anilino]-1H-pyridin-4-one

2-[4-(2H-tetrazol-5-yl)anilino]-1H-pyridin-4-one (PubChem CID 154975182) has the molecular formula C12H10N6O and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[4-(2H-tetrazol-5-yl)anilino]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[4-(2H-tetrazol-5-yl)anilino]-1H-pyridin-4-one
PubChem CID154975182
Molecular FormulaC12H10N6O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name2-[4-(2H-tetrazol-5-yl)anilino]-1H-pyridin-4-one
SMILESO=c1cc[nH]c(Nc2ccc(-c3nn[nH]n3)cc2)c1
InChIInChI=1S/C12H10N6O/c19-10-5-6-13-11(7-10)14-9-3-1-8(2-4-9)12-15-17-18-16-12/h1-7H,(H2,13,14,19)(H,15,16,17,18)
InChIKeyONTDBLARSMLRRV-UHFFFAOYSA-N
XLogP1.30
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide
CID 110720243
3-[4-(2H-tetrazol-5-yl)anilino]propane-1,2-diol
CID 168597238
3,5-dichloro-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 78843376
4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 110720188
N-[4-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide
CID 110720244
5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole
CID 15279617
4-(2H-tetrazol-5-yl)benzohydrazide
CID 43091169
5-[4-(1H-imidazol-2-yl)phenyl]-2H-tetrazole
CID 123654814
2-oxo-N-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyridine-4-carboxamide
CID 103763580
CID 175020702
CID 175020702
3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide
CID 110720173
4-[[4-(2H-tetrazol-5-yl)anilino]methyl]benzoic acid
CID 57457060

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2H-tetrazol-5-yl)anilino]-1H-pyridin-4-one?
The IUPAC name of 2-[4-(2H-tetrazol-5-yl)anilino]-1H-pyridin-4-one (CID 154975182) is 2-[4-(2H-tetrazol-5-yl)anilino]-1H-pyridin-4-one.
What is the SMILES notation for 2-[4-(2H-tetrazol-5-yl)anilino]-1H-pyridin-4-one?
The canonical SMILES for 2-[4-(2H-tetrazol-5-yl)anilino]-1H-pyridin-4-one is O=c1cc[nH]c(Nc2ccc(-c3nn[nH]n3)cc2)c1.
What is the InChIKey of 2-[4-(2H-tetrazol-5-yl)anilino]-1H-pyridin-4-one?
The InChIKey is ONTDBLARSMLRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O/c19-10-5-6-13-11(7-10)14-9-3-1-8(2-4-9)12-15-17-18-16-12/h1-7H,(H2,13,14,19)(H,15,16,17,18).
What are the key properties of 2-[4-(2H-tetrazol-5-yl)anilino]-1H-pyridin-4-one?
2-[4-(2H-tetrazol-5-yl)anilino]-1H-pyridin-4-one has a molecular weight of 254.25 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2H-tetrazol-5-yl)anilino]-1H-pyridin-4-one is sourced from PubChem (CID 154975182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).