7-(4-chloro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one

C12H9ClN4O — CID 172906478

IUPAC7-(4-chloro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCc1cc(-n2ccn3cnnc3c2=O)ccc1Cl
InChIInChI=1S/C12H9ClN4O/c1-8-6-9(2-3-10(8)13)17-5-4-16-7-14-15-11(16)12(17)18/h2-7H,1H3
InChIKeySYWJRSOSHNDYTP-UHFFFAOYSA-N
MW260.68 g/mol
LogP1.84
Rot. Bonds1

About 7-(4-chloro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one

7-(4-chloro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 172906478) has the molecular formula C12H9ClN4O and a molecular weight of 260.68 g/mol. Its IUPAC name is 7-(4-chloro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(4-chloro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID172906478
Molecular FormulaC12H9ClN4O
Molecular Weight260.68 g/mol
Exact Mass260.05
IUPAC Name7-(4-chloro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCc1cc(-n2ccn3cnnc3c2=O)ccc1Cl
InChIInChI=1S/C12H9ClN4O/c1-8-6-9(2-3-10(8)13)17-5-4-16-7-14-15-11(16)12(17)18/h2-7H,1H3
InChIKeySYWJRSOSHNDYTP-UHFFFAOYSA-N
XLogP1.84
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 175651322
1-(4-chloro-3-methylphenyl)-4-(2-methoxyethyl)pyrazine-2,3-dione
CID 172906128
7-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-one
CID 53036422
7-(3-chloro-4-methylphenyl)-2-ethyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
CID 163358339
1-(4-chloro-3-methylphenyl)pyrrole-2,5-dione
CID 112708489
8-iodo-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 155239872
3-chloro-4-(3-chloro-4-methylphenyl)-1,2,4-triazole
CID 63385020
5-chloro-2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one
CID 742542
2-(4-bromophenyl)-7-(3,4-dimethylphenyl)imidazo[1,2-a]pyrazin-8-one
CID 53036408
2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one;ethane
CID 143601748
3-[(4-chlorophenyl)methylsulfanyl]-7-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 50806224
7-(3-chloro-4-methylphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one
CID 53118046

Frequently Asked Questions

What is the IUPAC name of 7-(4-chloro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 7-(4-chloro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 172906478) is 7-(4-chloro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 7-(4-chloro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 7-(4-chloro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one is Cc1cc(-n2ccn3cnnc3c2=O)ccc1Cl.
What is the InChIKey of 7-(4-chloro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is SYWJRSOSHNDYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O/c1-8-6-9(2-3-10(8)13)17-5-4-16-7-14-15-11(16)12(17)18/h2-7H,1H3.
What are the key properties of 7-(4-chloro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
7-(4-chloro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 260.68 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chloro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 172906478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).