3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one

C12H19N5O2 — CID 139009969

IUPAC3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one
SMILESCC(C)CN1CCN(C(=O)c2cn[nH]n2)C(C)C1=O
InChIInChI=1S/C12H19N5O2/c1-8(2)7-16-4-5-17(9(3)11(16)18)12(19)10-6-13-15-14-10/h6,8-9H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyXHWNOALXJKNNDP-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.13
Rot. Bonds3

About 3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one

3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one (PubChem CID 139009969) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one
PubChem CID139009969
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one
SMILESCC(C)CN1CCN(C(=O)c2cn[nH]n2)C(C)C1=O
InChIInChI=1S/C12H19N5O2/c1-8(2)7-16-4-5-17(9(3)11(16)18)12(19)10-6-13-15-14-10/h6,8-9H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyXHWNOALXJKNNDP-UHFFFAOYSA-N
XLogP0.13
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(difluoromethyl)pyrazole-3-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 139009579
4-[4-(hydroxymethyl)pyridine-2-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 91784309
3-methyl-4-[2-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethoxy]acetyl]-1-(2-methylpropyl)piperazin-2-one
CID 166226447
(3S)-3-methyl-1-(2-methylpropyl)-4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperazin-2-one
CID 95563524
(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(2H-triazol-4-yl)methanone
CID 79806177
4-(2,6-dimethoxypyridine-3-carbonyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 70706978
4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 70718977
N-[(4-fluorophenyl)methyl]-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
CID 56916075
(2,3-dimethylthiomorpholin-4-yl)-(2H-triazol-4-yl)methanone
CID 115634504
4-fluoro-3-[2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]benzenesulfonamide
CID 70716405
4-[[2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]amino]butanoic acid
CID 122022741
3-methyl-4-[3-(5-methylfuran-2-yl)benzoyl]-1-(2-methylpropyl)piperazin-2-one
CID 70710666

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one?
The IUPAC name of 3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one (CID 139009969) is 3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one?
The canonical SMILES for 3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one is CC(C)CN1CCN(C(=O)c2cn[nH]n2)C(C)C1=O.
What is the InChIKey of 3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one?
The InChIKey is XHWNOALXJKNNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-8(2)7-16-4-5-17(9(3)11(16)18)12(19)10-6-13-15-14-10/h6,8-9H,4-5,7H2,1-3H3,(H,13,14,15).
What are the key properties of 3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one?
3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one has a molecular weight of 265.32 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 139009969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).