2-methyl-7-[2-(4-methylpyrazol-1-yl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C12H16N6O2 — CID 155880588

IUPAC2-methyl-7-[2-(4-methylpyrazol-1-yl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCc1cnn(CC(=O)N2CCn3c(nn(C)c3=O)C2)c1
InChIInChI=1S/C12H16N6O2/c1-9-5-13-17(6-9)8-11(19)16-3-4-18-10(7-16)14-15(2)12(18)20/h5-6H,3-4,7-8H2,1-2H3
InChIKeyCGGQJYJPKIHOMY-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.87
Rot. Bonds2

About 2-methyl-7-[2-(4-methylpyrazol-1-yl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-methyl-7-[2-(4-methylpyrazol-1-yl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 155880588) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-methyl-7-[2-(4-methylpyrazol-1-yl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-methyl-7-[2-(4-methylpyrazol-1-yl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID155880588
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name2-methyl-7-[2-(4-methylpyrazol-1-yl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCc1cnn(CC(=O)N2CCn3c(nn(C)c3=O)C2)c1
InChIInChI=1S/C12H16N6O2/c1-9-5-13-17(6-9)8-11(19)16-3-4-18-10(7-16)14-15(2)12(18)20/h5-6H,3-4,7-8H2,1-2H3
InChIKeyCGGQJYJPKIHOMY-UHFFFAOYSA-N
XLogP-0.87
TPSA77.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[2-(4-methylpyrazol-1-yl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-methyl-7-[2-(4-methylpyrazol-1-yl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 155880588) is 2-methyl-7-[2-(4-methylpyrazol-1-yl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-methyl-7-[2-(4-methylpyrazol-1-yl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-methyl-7-[2-(4-methylpyrazol-1-yl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is Cc1cnn(CC(=O)N2CCn3c(nn(C)c3=O)C2)c1.
What is the InChIKey of 2-methyl-7-[2-(4-methylpyrazol-1-yl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is CGGQJYJPKIHOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-9-5-13-17(6-9)8-11(19)16-3-4-18-10(7-16)14-15(2)12(18)20/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 2-methyl-7-[2-(4-methylpyrazol-1-yl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-methyl-7-[2-(4-methylpyrazol-1-yl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 276.30 g/mol, XLogP of -0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[2-(4-methylpyrazol-1-yl)acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 155880588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).