4-methyl-2-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-one

C10H17N3O2 — CID 116626772

IUPAC4-methyl-2-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-one
SMILESCn1cnn(CCCC2CCCO2)c1=O
InChIInChI=1S/C10H17N3O2/c1-12-8-11-13(10(12)14)6-2-4-9-5-3-7-15-9/h8-9H,2-7H2,1H3
InChIKeyJOXDFDRLOLAQRH-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.54
Rot. Bonds4

About 4-methyl-2-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-one

4-methyl-2-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-one (PubChem CID 116626772) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-methyl-2-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-methyl-2-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-one
PubChem CID116626772
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-methyl-2-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-one
SMILESCn1cnn(CCCC2CCCO2)c1=O
InChIInChI=1S/C10H17N3O2/c1-12-8-11-13(10(12)14)6-2-4-9-5-3-7-15-9/h8-9H,2-7H2,1H3
InChIKeyJOXDFDRLOLAQRH-UHFFFAOYSA-N
XLogP0.54
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-(oxolan-2-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 116618657
5-(cyclobutylamino)-2-[3-(oxolan-2-yl)propyl]pyridazin-3-one
CID 103220654
3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazole-4-sulfonyl chloride
CID 65165875
4-methyl-1-[3-(oxolan-2-yl)propyl]pyrazol-3-amine
CID 65161363
ethyl 1-[3-(oxolan-2-yl)propyl]tetrazole-5-carboxylate
CID 79318250
1-[1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]propan-1-one
CID 65164995
3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170302
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indazol-3-yl]methanamine
CID 65165688
1-[3-(oxolan-2-yl)propyl]pyrazole-3-carboxylic acid
CID 65162534
1-(1-methylimidazol-4-yl)-4-(oxolan-2-yl)butan-1-one
CID 107976971
N-[[3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65165270
1-(3-methylimidazol-4-yl)-4-(oxolan-2-yl)butan-1-amine
CID 82895309

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-one?
The IUPAC name of 4-methyl-2-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-one (CID 116626772) is 4-methyl-2-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-methyl-2-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-methyl-2-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-one is Cn1cnn(CCCC2CCCO2)c1=O.
What is the InChIKey of 4-methyl-2-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-one?
The InChIKey is JOXDFDRLOLAQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-12-8-11-13(10(12)14)6-2-4-9-5-3-7-15-9/h8-9H,2-7H2,1H3.
What are the key properties of 4-methyl-2-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-one?
4-methyl-2-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-one has a molecular weight of 211.26 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-one is sourced from PubChem (CID 116626772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).