2-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C17H18N6O — CID 146043038

IUPAC2-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1nc(-c2cc3n(n2)CCN(C)C3=O)n(Cc2ccccc2)n1
InChIInChI=1S/C17H18N6O/c1-12-18-16(23(19-12)11-13-6-4-3-5-7-13)14-10-15-17(24)21(2)8-9-22(15)20-14/h3-7,10H,8-9,11H2,1-2H3
InChIKeyDMUJOFVHHDBUNA-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.58
Rot. Bonds3

About 2-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

2-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 146043038) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID146043038
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name2-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1nc(-c2cc3n(n2)CCN(C)C3=O)n(Cc2ccccc2)n1
InChIInChI=1S/C17H18N6O/c1-12-18-16(23(19-12)11-13-6-4-3-5-7-13)14-10-15-17(24)21(2)8-9-22(15)20-14/h3-7,10H,8-9,11H2,1-2H3
InChIKeyDMUJOFVHHDBUNA-UHFFFAOYSA-N
XLogP1.58
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-benzyl-5-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-triazol-3-yl]acetamide
CID 146046708
2-[2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146046205
2-(2-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146039624
5-benzyl-2-(4-chlorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 25147602
5-methyl-2-[2-(3-methylphenyl)-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146043158
1-benzyl-4-methylpiperazine-2,3-dione;ethane
CID 142485528
5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbaldehyde
CID 126717669
1-benzyl-3-(1-benzyl-5-phenylpyrazol-3-yl)-5-phenylpyrazole
CID 84820888
5-benzyl-2-(4-chlorophenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
CID 57393658
N,5-dibenzyl-N-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46078708
2-benzyl-6-(2,4,5-trimethylphenyl)pyridazin-3-one
CID 7672212
4-oxo-5-(4-phenylbutyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 155912974

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 146043038) is 2-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1nc(-c2cc3n(n2)CCN(C)C3=O)n(Cc2ccccc2)n1.
What is the InChIKey of 2-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is DMUJOFVHHDBUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-12-18-16(23(19-12)11-13-6-4-3-5-7-13)14-10-15-17(24)21(2)8-9-22(15)20-14/h3-7,10H,8-9,11H2,1-2H3.
What are the key properties of 2-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
2-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 322.37 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 146043038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).