6-methyl-5-pyridin-4-yl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one

C12H10N6O — CID 136746051

IUPAC6-methyl-5-pyridin-4-yl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(-c2nn[nH]n2)cc1-c1ccncc1
InChIInChI=1S/C12H10N6O/c1-7-9(8-2-4-13-5-3-8)6-10(12(19)14-7)11-15-17-18-16-11/h2-6H,1H3,(H,14,19)(H,15,16,17,18)
InChIKeyUCYRGXSBPXUXAX-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.93
Rot. Bonds2

About 6-methyl-5-pyridin-4-yl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one

6-methyl-5-pyridin-4-yl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one (PubChem CID 136746051) has the molecular formula C12H10N6O and a molecular weight of 254.25 g/mol. Its IUPAC name is 6-methyl-5-pyridin-4-yl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-5-pyridin-4-yl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
PubChem CID136746051
Molecular FormulaC12H10N6O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name6-methyl-5-pyridin-4-yl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(-c2nn[nH]n2)cc1-c1ccncc1
InChIInChI=1S/C12H10N6O/c1-7-9(8-2-4-13-5-3-8)6-10(12(19)14-7)11-15-17-18-16-11/h2-6H,1H3,(H,14,19)(H,15,16,17,18)
InChIKeyUCYRGXSBPXUXAX-UHFFFAOYSA-N
XLogP0.93
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-pyridin-4-yl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 6-methyl-5-pyridin-4-yl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one (CID 136746051) is 6-methyl-5-pyridin-4-yl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-5-pyridin-4-yl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-5-pyridin-4-yl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one is Cc1[nH]c(=O)c(-c2nn[nH]n2)cc1-c1ccncc1.
What is the InChIKey of 6-methyl-5-pyridin-4-yl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one?
The InChIKey is UCYRGXSBPXUXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O/c1-7-9(8-2-4-13-5-3-8)6-10(12(19)14-7)11-15-17-18-16-11/h2-6H,1H3,(H,14,19)(H,15,16,17,18).
What are the key properties of 6-methyl-5-pyridin-4-yl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one?
6-methyl-5-pyridin-4-yl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one has a molecular weight of 254.25 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-pyridin-4-yl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 136746051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).