3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one

C10H15N5O2 — CID 55219544

IUPAC3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)CCn1cncn1
InChIInChI=1S/C10H15N5O2/c1-8-10(17)12-3-5-15(8)9(16)2-4-14-7-11-6-13-14/h6-8H,2-5H2,1H3,(H,12,17)
InChIKeyCBACTWPTLZFMQE-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.98
Rot. Bonds3

About 3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one

3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one (PubChem CID 55219544) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
PubChem CID55219544
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)CCn1cncn1
InChIInChI=1S/C10H15N5O2/c1-8-10(17)12-3-5-15(8)9(16)2-4-14-7-11-6-13-14/h6-8H,2-5H2,1H3,(H,12,17)
InChIKeyCBACTWPTLZFMQE-UHFFFAOYSA-N
XLogP-0.98
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one
CID 136523920
4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
CID 60718090
4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-methylpiperazin-2-one
CID 63594537
1-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-2-carbonitrile
CID 79085271
3-methyl-4-[3-(propan-2-ylamino)propanoyl]piperazin-2-one
CID 63607417
4-[3-(2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid
CID 119183130
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 120739364
1-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
CID 42938651
4-(3-imidazol-1-ylhexanoyl)-3-methylpiperazin-2-one
CID 63374326
methyl 1-[3-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-2-carboxylate
CID 43410218
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 94178820
3-methyl-4-(2-phenoxyacetyl)piperazin-2-one
CID 63079192

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one?
The IUPAC name of 3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one (CID 55219544) is 3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one.
What is the SMILES notation for 3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one?
The canonical SMILES for 3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one is CC1C(=O)NCCN1C(=O)CCn1cncn1.
What is the InChIKey of 3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one?
The InChIKey is CBACTWPTLZFMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-8-10(17)12-3-5-15(8)9(16)2-4-14-7-11-6-13-14/h6-8H,2-5H2,1H3,(H,12,17).
What are the key properties of 3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one?
3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one has a molecular weight of 237.26 g/mol, XLogP of -0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one is sourced from PubChem (CID 55219544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).