5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one

C14H19N7O2 — CID 156585711

IUPAC5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one
SMILESCc1cnc(C)c(N2CCN(C(=O)c3nn(C)c(=O)[nH]3)CC2)n1
InChIInChI=1S/C14H19N7O2/c1-9-8-15-10(2)12(16-9)20-4-6-21(7-5-20)13(22)11-17-14(23)19(3)18-11/h8H,4-7H2,1-3H3,(H,17,18,23)
InChIKeyHNCVEOMTUGPMPI-UHFFFAOYSA-N
MW317.35 g/mol
LogP-0.52
Rot. Bonds2

About 5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one

5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one (PubChem CID 156585711) has the molecular formula C14H19N7O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one
PubChem CID156585711
Molecular FormulaC14H19N7O2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one
SMILESCc1cnc(C)c(N2CCN(C(=O)c3nn(C)c(=O)[nH]3)CC2)n1
InChIInChI=1S/C14H19N7O2/c1-9-8-15-10(2)12(16-9)20-4-6-21(7-5-20)13(22)11-17-14(23)19(3)18-11/h8H,4-7H2,1-3H3,(H,17,18,23)
InChIKeyHNCVEOMTUGPMPI-UHFFFAOYSA-N
XLogP-0.52
TPSA100.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one with MolForge

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Related Compounds

[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 138808982
2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135885511
2-methyl-5-(4-phenylpiperazine-1-carbonyl)-4H-1,2,4-triazol-3-one
CID 136849778
2-methyl-5-(pyrrolidine-1-carbonyl)-4H-1,2,4-triazol-3-one
CID 136849730
5-[4-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one
CID 157018603
2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-6-methylpyran-4-one
CID 77082199
cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 133468891
(2-chloro-4-fluorophenyl)-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 133469270
[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone
CID 90647890
1-tert-butyl-4-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 70720048
(2R)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 124752724
methyl 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanoate
CID 115538512

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one?
The IUPAC name of 5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one (CID 156585711) is 5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one?
The canonical SMILES for 5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one is Cc1cnc(C)c(N2CCN(C(=O)c3nn(C)c(=O)[nH]3)CC2)n1.
What is the InChIKey of 5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one?
The InChIKey is HNCVEOMTUGPMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O2/c1-9-8-15-10(2)12(16-9)20-4-6-21(7-5-20)13(22)11-17-14(23)19(3)18-11/h8H,4-7H2,1-3H3,(H,17,18,23).
What are the key properties of 5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one?
5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one has a molecular weight of 317.35 g/mol, XLogP of -0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 156585711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).