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

C19H22N6O — CID 146039624

IUPAC2-(2-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCN1CCn2nc(-c3nc(-c4ccccc4)nn3C(C)(C)C)cc2C1=O
InChIInChI=1S/C19H22N6O/c1-19(2,3)25-17(20-16(22-25)13-8-6-5-7-9-13)14-12-15-18(26)23(4)10-11-24(15)21-14/h5-9,12H,10-11H2,1-4H3
InChIKeyDKIFNGHKHOKYLG-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.65
Rot. Bonds2

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

2-(2-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 146039624) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-(2-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(2-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID146039624
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name2-(2-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCN1CCn2nc(-c3nc(-c4ccccc4)nn3C(C)(C)C)cc2C1=O
InChIInChI=1S/C19H22N6O/c1-19(2,3)25-17(20-16(22-25)13-8-6-5-7-9-13)14-12-15-18(26)23(4)10-11-24(15)21-14/h5-9,12H,10-11H2,1-4H3
InChIKeyDKIFNGHKHOKYLG-UHFFFAOYSA-N
XLogP2.65
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146043038
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-[5-[hydroxy(phenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146043250
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
2-[2-(2-ethoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146045861
5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbaldehyde
CID 126717669
5-benzyl-2-(4-chlorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 25147602
2,8-dimethyl-6-phenyl-3,4-dihydro-2,7-naphthyridin-1-one
CID 11276805
5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 68953985
3-hydroxy-1-methylpyrrolidin-2-one;5-methyl-2-[[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 170573881
3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline
CID 62721289
1-tert-butyl-5-(4-chlorophenyl)-3-phenylpyrazole
CID 71661394

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 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) is 2-(2-tert-butyl-5-phenyl-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-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(2-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CN1CCn2nc(-c3nc(-c4ccccc4)nn3C(C)(C)C)cc2C1=O.
What is the InChIKey of 2-(2-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is DKIFNGHKHOKYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-19(2,3)25-17(20-16(22-25)13-8-6-5-7-9-13)14-12-15-18(26)23(4)10-11-24(15)21-14/h5-9,12H,10-11H2,1-4H3.
What are the key properties of 2-(2-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
2-(2-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 350.43 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 146039624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).