3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-methyl-5H-triazolo[1,5-a]pyrazin-4-one

C19H22N6O2 — CID 91891411

IUPAC3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-methyl-5H-triazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(C)c(N2CCN(C(=O)c3nnn4cc(C)[nH]c(=O)c34)CC2)c1
InChIInChI=1S/C19H22N6O2/c1-12-4-5-13(2)15(10-12)23-6-8-24(9-7-23)19(27)16-17-18(26)20-14(3)11-25(17)22-21-16/h4-5,10-11H,6-9H2,1-3H3,(H,20,26)
InChIKeyGLBDGFCFDHFAIH-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.31
Rot. Bonds2

About 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-methyl-5H-triazolo[1,5-a]pyrazin-4-one

3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-methyl-5H-triazolo[1,5-a]pyrazin-4-one (PubChem CID 91891411) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-methyl-5H-triazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-methyl-5H-triazolo[1,5-a]pyrazin-4-one
PubChem CID91891411
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-methyl-5H-triazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(C)c(N2CCN(C(=O)c3nnn4cc(C)[nH]c(=O)c34)CC2)c1
InChIInChI=1S/C19H22N6O2/c1-12-4-5-13(2)15(10-12)23-6-8-24(9-7-23)19(27)16-17-18(26)20-14(3)11-25(17)22-21-16/h4-5,10-11H,6-9H2,1-3H3,(H,20,26)
InChIKeyGLBDGFCFDHFAIH-UHFFFAOYSA-N
XLogP1.31
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(3-methylphenyl)piperazine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one
CID 91891398
7-methyl-3-(4-phenylpiperazine-1-carbonyl)-5H-triazolo[1,5-a]quinoxalin-4-one
CID 53170966
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]methanone
CID 91890743
[4-(2,5-dimethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
CID 87051259
(6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 87051170
5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,6-dimethylfuro[2,3-d]pyrimidin-4-one
CID 53209286
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 20953293
3-(2,5-dimethylphenyl)-3,9-diazaspiro[5.5]undecane
CID 117028752
[4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)methanone
CID 53166436
6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one
CID 2008524
1-[5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone
CID 20858592
[4-(2,5-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
CID 71511296

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-methyl-5H-triazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-methyl-5H-triazolo[1,5-a]pyrazin-4-one (CID 91891411) is 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-methyl-5H-triazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-methyl-5H-triazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-methyl-5H-triazolo[1,5-a]pyrazin-4-one is Cc1ccc(C)c(N2CCN(C(=O)c3nnn4cc(C)[nH]c(=O)c34)CC2)c1.
What is the InChIKey of 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-methyl-5H-triazolo[1,5-a]pyrazin-4-one?
The InChIKey is GLBDGFCFDHFAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-12-4-5-13(2)15(10-12)23-6-8-24(9-7-23)19(27)16-17-18(26)20-14(3)11-25(17)22-21-16/h4-5,10-11H,6-9H2,1-3H3,(H,20,26).
What are the key properties of 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-methyl-5H-triazolo[1,5-a]pyrazin-4-one?
3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-methyl-5H-triazolo[1,5-a]pyrazin-4-one has a molecular weight of 366.43 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-methyl-5H-triazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91891411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).