3-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one

C10H16N4O2 — CID 172548546

IUPAC3-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCC(C)C(=O)N1CCCC1c1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H16N4O2/c1-6(2)9(15)14-5-3-4-7(14)8-11-10(16)13-12-8/h6-7H,3-5H2,1-2H3,(H2,11,12,13,16)
InChIKeyMWSYIBONPNPPQY-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.42
Rot. Bonds2

About 3-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one

3-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 172548546) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID172548546
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCC(C)C(=O)N1CCCC1c1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H16N4O2/c1-6(2)9(15)14-5-3-4-7(14)8-11-10(16)13-12-8/h6-7H,3-5H2,1-2H3,(H2,11,12,13,16)
InChIKeyMWSYIBONPNPPQY-UHFFFAOYSA-N
XLogP0.42
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one (CID 172548546) is 3-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one is CC(C)C(=O)N1CCCC1c1n[nH]c(=O)[nH]1.
What is the InChIKey of 3-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is MWSYIBONPNPPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6(2)9(15)14-5-3-4-7(14)8-11-10(16)13-12-8/h6-7H,3-5H2,1-2H3,(H2,11,12,13,16).
What are the key properties of 3-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 224.26 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 172548546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).