5-methyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C14H18N8O2 — CID 146044273

IUPAC5-methyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCN1CCn2nc(C(=O)N3CCN(c4ncn[nH]4)CC3)cc2C1=O
InChIInChI=1S/C14H18N8O2/c1-19-2-7-22-11(13(19)24)8-10(18-22)12(23)20-3-5-21(6-4-20)14-15-9-16-17-14/h8-9H,2-7H2,1H3,(H,15,16,17)
InChIKeyLPAVDUZMUGWVHY-UHFFFAOYSA-N
MW330.35 g/mol
LogP-0.95
Rot. Bonds2

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

5-methyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 146044273) has the molecular formula C14H18N8O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 5-methyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-methyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID146044273
Molecular FormulaC14H18N8O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name5-methyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCN1CCn2nc(C(=O)N3CCN(c4ncn[nH]4)CC3)cc2C1=O
InChIInChI=1S/C14H18N8O2/c1-19-2-7-22-11(13(19)24)8-10(18-22)12(23)20-3-5-21(6-4-20)14-15-9-16-17-14/h8-9H,2-7H2,1H3,(H,15,16,17)
InChIKeyLPAVDUZMUGWVHY-UHFFFAOYSA-N
XLogP-0.95
TPSA103.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146046332
5-methyl-2-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 154567222
5-methyl-2-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146044926
2-methyl-8-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 146041793
formic acid;methyl 1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl)azetidine-3-carboxylate
CID 154923275
1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one
CID 141318848
(1,7-dimethylindol-2-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
CID 118763779
2-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 175852598
2-ethylsulfanyl-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]ethanone
CID 118769757
2-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146041786
2-[(4aR,7aS)-1-methyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146043523
(5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
CID 118765935

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-methyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 146044273) is 5-methyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-methyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-methyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CN1CCn2nc(C(=O)N3CCN(c4ncn[nH]4)CC3)cc2C1=O.
What is the InChIKey of 5-methyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is LPAVDUZMUGWVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8O2/c1-19-2-7-22-11(13(19)24)8-10(18-22)12(23)20-3-5-21(6-4-20)14-15-9-16-17-14/h8-9H,2-7H2,1H3,(H,15,16,17).
What are the key properties of 5-methyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-methyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 330.35 g/mol, XLogP of -0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 146044273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).