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

C9H13N5O2 — CID 60718090

IUPAC4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
SMILESO=C1CN(C(=O)CCn2cncn2)CCN1
InChIInChI=1S/C9H13N5O2/c15-8-5-13(4-2-11-8)9(16)1-3-14-7-10-6-12-14/h6-7H,1-5H2,(H,11,15)
InChIKeyDRAADOPGXCRSDJ-UHFFFAOYSA-N
MW223.24 g/mol
LogP-1.37
Rot. Bonds3

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

4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one (PubChem CID 60718090) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one.

Molecular Properties

Compound Name4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
PubChem CID60718090
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
SMILESO=C1CN(C(=O)CCn2cncn2)CCN1
InChIInChI=1S/C9H13N5O2/c15-8-5-13(4-2-11-8)9(16)1-3-14-7-10-6-12-14/h6-7H,1-5H2,(H,11,15)
InChIKeyDRAADOPGXCRSDJ-UHFFFAOYSA-N
XLogP-1.37
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-1.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
CID 63607225
3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
CID 55219544
8-[3-(1,2,4-triazol-1-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 60713024
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
CID 66211984
1-(3-hydroxypyrrolidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
CID 62916903
3-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]propanoic acid
CID 43522089
6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid
CID 43447158
1-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-2-carbonitrile
CID 79085271
N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclohexyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 110128134
1-(2-phenylphenyl)-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
CID 70720362
1-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
CID 42938651
4-[3-(pyrimidin-2-ylamino)propanoyl]piperazin-2-one
CID 47246051

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one?
The IUPAC name of 4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one (CID 60718090) is 4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one.
What is the SMILES notation for 4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one?
The canonical SMILES for 4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one is O=C1CN(C(=O)CCn2cncn2)CCN1.
What is the InChIKey of 4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one?
The InChIKey is DRAADOPGXCRSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c15-8-5-13(4-2-11-8)9(16)1-3-14-7-10-6-12-14/h6-7H,1-5H2,(H,11,15).
What are the key properties of 4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one?
4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one has a molecular weight of 223.24 g/mol, XLogP of -1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one is sourced from PubChem (CID 60718090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).