4-(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-methylpyridin-2-one

C11H8ClN5O — CID 114039746

IUPAC4-(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-methylpyridin-2-one
SMILESCn1ccc(-c2nnc3c(Cl)nccn23)cc1=O
InChIInChI=1S/C11H8ClN5O/c1-16-4-2-7(6-8(16)18)10-14-15-11-9(12)13-3-5-17(10)11/h2-6H,1H3
InChIKeyKLZPIIWMZBKEQI-UHFFFAOYSA-N
MW261.67 g/mol
LogP1.14
Rot. Bonds1

About 4-(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-methylpyridin-2-one

4-(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-methylpyridin-2-one (PubChem CID 114039746) has the molecular formula C11H8ClN5O and a molecular weight of 261.67 g/mol. Its IUPAC name is 4-(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-methylpyridin-2-one
PubChem CID114039746
Molecular FormulaC11H8ClN5O
Molecular Weight261.67 g/mol
Exact Mass261.04
IUPAC Name4-(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-methylpyridin-2-one
SMILESCn1ccc(-c2nnc3c(Cl)nccn23)cc1=O
InChIInChI=1S/C11H8ClN5O/c1-16-4-2-7(6-8(16)18)10-14-15-11-9(12)13-3-5-17(10)11/h2-6H,1H3
InChIKeyKLZPIIWMZBKEQI-UHFFFAOYSA-N
XLogP1.14
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 66128415
3-(3-bromo-5-chlorophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine
CID 114018416
8-chloro-3-(5-chloro-2-iodophenyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 114030805
8-chloro-3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 80537687
3,8-dichloro-[1,2,4]triazolo[4,3-a]pyrazine
CID 133054598
4-[5-(3-chloropropylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-1-methylpyridin-2-one
CID 121304625
8-chloro-3-(4-chloro-2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 82771314
(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phosphane
CID 58388823
4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-1-methylpyridin-2-one
CID 114039678
4-(4-fluoro-2-pyridinyl)-1-methylpyridin-2-one
CID 130609895
N-methyl-5-(4-methylphenyl)imidazo[1,2-d][1,2,4]triazin-8-amine
CID 177182562
2-(3-chlorophenyl)-1-methylimidazole
CID 57277272

Frequently Asked Questions

What is the IUPAC name of 4-(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-methylpyridin-2-one?
The IUPAC name of 4-(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-methylpyridin-2-one (CID 114039746) is 4-(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-methylpyridin-2-one.
What is the SMILES notation for 4-(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-methylpyridin-2-one?
The canonical SMILES for 4-(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-methylpyridin-2-one is Cn1ccc(-c2nnc3c(Cl)nccn23)cc1=O.
What is the InChIKey of 4-(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-methylpyridin-2-one?
The InChIKey is KLZPIIWMZBKEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5O/c1-16-4-2-7(6-8(16)18)10-14-15-11-9(12)13-3-5-17(10)11/h2-6H,1H3.
What are the key properties of 4-(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-methylpyridin-2-one?
4-(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-methylpyridin-2-one has a molecular weight of 261.67 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-methylpyridin-2-one is sourced from PubChem (CID 114039746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).