2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C15H14N4O2 — CID 66271119

IUPAC2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCc1ccc(C(=O)Cn2nc3cnccn3c2=O)c(C)c1
InChIInChI=1S/C15H14N4O2/c1-10-3-4-12(11(2)7-10)13(20)9-19-15(21)18-6-5-16-8-14(18)17-19/h3-8H,9H2,1-2H3
InChIKeyPJFCKVCETTXNEB-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.39
Rot. Bonds3

About 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66271119) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66271119
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCc1ccc(C(=O)Cn2nc3cnccn3c2=O)c(C)c1
InChIInChI=1S/C15H14N4O2/c1-10-3-4-12(11(2)7-10)13(20)9-19-15(21)18-6-5-16-8-14(18)17-19/h3-8H,9H2,1-2H3
InChIKeyPJFCKVCETTXNEB-UHFFFAOYSA-N
XLogP1.39
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66271119) is 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is Cc1ccc(C(=O)Cn2nc3cnccn3c2=O)c(C)c1.
What is the InChIKey of 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is PJFCKVCETTXNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-10-3-4-12(11(2)7-10)13(20)9-19-15(21)18-6-5-16-8-14(18)17-19/h3-8H,9H2,1-2H3.
What are the key properties of 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 282.30 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66271119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).