5-chloro-3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one

C8H7ClN4O — CID 168934886

IUPAC5-chloro-3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one
SMILESCc1ncn(-c2cc(Cl)c[nH]c2=O)n1
InChIInChI=1S/C8H7ClN4O/c1-5-11-4-13(12-5)7-2-6(9)3-10-8(7)14/h2-4H,1H3,(H,10,14)
InChIKeyWMRGMYOTSGLCGV-UHFFFAOYSA-N
MW210.62 g/mol
LogP0.92
Rot. Bonds1

About 5-chloro-3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one

5-chloro-3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one (PubChem CID 168934886) has the molecular formula C8H7ClN4O and a molecular weight of 210.62 g/mol. Its IUPAC name is 5-chloro-3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one
PubChem CID168934886
Molecular FormulaC8H7ClN4O
Molecular Weight210.62 g/mol
Exact Mass210.03
IUPAC Name5-chloro-3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one
SMILESCc1ncn(-c2cc(Cl)c[nH]c2=O)n1
InChIInChI=1S/C8H7ClN4O/c1-5-11-4-13(12-5)7-2-6(9)3-10-8(7)14/h2-4H,1H3,(H,10,14)
InChIKeyWMRGMYOTSGLCGV-UHFFFAOYSA-N
XLogP0.92
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one?
The IUPAC name of 5-chloro-3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one (CID 168934886) is 5-chloro-3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one is Cc1ncn(-c2cc(Cl)c[nH]c2=O)n1.
What is the InChIKey of 5-chloro-3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one?
The InChIKey is WMRGMYOTSGLCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O/c1-5-11-4-13(12-5)7-2-6(9)3-10-8(7)14/h2-4H,1H3,(H,10,14).
What are the key properties of 5-chloro-3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one?
5-chloro-3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one has a molecular weight of 210.62 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one is sourced from PubChem (CID 168934886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).