4-cyclopropyl-2-ethyl-5-(methoxymethyl)-1,2,4-triazol-3-one

C9H15N3O2 — CID 20731867

IUPAC4-cyclopropyl-2-ethyl-5-(methoxymethyl)-1,2,4-triazol-3-one
SMILESCCn1nc(COC)n(C2CC2)c1=O
InChIInChI=1S/C9H15N3O2/c1-3-11-9(13)12(7-4-5-7)8(10-11)6-14-2/h7H,3-6H2,1-2H3
InChIKeyZOFSPSWLASBSGF-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.55
Rot. Bonds4

About 4-cyclopropyl-2-ethyl-5-(methoxymethyl)-1,2,4-triazol-3-one

4-cyclopropyl-2-ethyl-5-(methoxymethyl)-1,2,4-triazol-3-one (PubChem CID 20731867) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-cyclopropyl-2-ethyl-5-(methoxymethyl)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopropyl-2-ethyl-5-(methoxymethyl)-1,2,4-triazol-3-one
PubChem CID20731867
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-cyclopropyl-2-ethyl-5-(methoxymethyl)-1,2,4-triazol-3-one
SMILESCCn1nc(COC)n(C2CC2)c1=O
InChIInChI=1S/C9H15N3O2/c1-3-11-9(13)12(7-4-5-7)8(10-11)6-14-2/h7H,3-6H2,1-2H3
InChIKeyZOFSPSWLASBSGF-UHFFFAOYSA-N
XLogP0.55
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-cyclopropyl-2-ethyl-5-(methoxymethyl)-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

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-ethyl-5-(methoxymethyl)-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclopropyl-2-ethyl-5-(methoxymethyl)-1,2,4-triazol-3-one (CID 20731867) is 4-cyclopropyl-2-ethyl-5-(methoxymethyl)-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclopropyl-2-ethyl-5-(methoxymethyl)-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclopropyl-2-ethyl-5-(methoxymethyl)-1,2,4-triazol-3-one is CCn1nc(COC)n(C2CC2)c1=O.
What is the InChIKey of 4-cyclopropyl-2-ethyl-5-(methoxymethyl)-1,2,4-triazol-3-one?
The InChIKey is ZOFSPSWLASBSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-11-9(13)12(7-4-5-7)8(10-11)6-14-2/h7H,3-6H2,1-2H3.
What are the key properties of 4-cyclopropyl-2-ethyl-5-(methoxymethyl)-1,2,4-triazol-3-one?
4-cyclopropyl-2-ethyl-5-(methoxymethyl)-1,2,4-triazol-3-one has a molecular weight of 197.24 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-ethyl-5-(methoxymethyl)-1,2,4-triazol-3-one is sourced from PubChem (CID 20731867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).