4-methyl-2-(2-propan-2-yloxyethyl)-1,2,4-triazol-3-one

C8H15N3O2 — CID 115773684

IUPAC4-methyl-2-(2-propan-2-yloxyethyl)-1,2,4-triazol-3-one
SMILESCC(C)OCCn1ncn(C)c1=O
InChIInChI=1S/C8H15N3O2/c1-7(2)13-5-4-11-8(12)10(3)6-9-11/h6-7H,4-5H2,1-3H3
InChIKeyLSZVRDURSMMILJ-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.01
Rot. Bonds4

About 4-methyl-2-(2-propan-2-yloxyethyl)-1,2,4-triazol-3-one

4-methyl-2-(2-propan-2-yloxyethyl)-1,2,4-triazol-3-one (PubChem CID 115773684) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-methyl-2-(2-propan-2-yloxyethyl)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-methyl-2-(2-propan-2-yloxyethyl)-1,2,4-triazol-3-one
PubChem CID115773684
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name4-methyl-2-(2-propan-2-yloxyethyl)-1,2,4-triazol-3-one
SMILESCC(C)OCCn1ncn(C)c1=O
InChIInChI=1S/C8H15N3O2/c1-7(2)13-5-4-11-8(12)10(3)6-9-11/h6-7H,4-5H2,1-3H3
InChIKeyLSZVRDURSMMILJ-UHFFFAOYSA-N
XLogP0.01
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-(2-propan-2-yloxyethyl)-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-methyl-2-(2-propan-2-yloxyethyl)-1,2,4-triazol-3-one?
The IUPAC name of 4-methyl-2-(2-propan-2-yloxyethyl)-1,2,4-triazol-3-one (CID 115773684) is 4-methyl-2-(2-propan-2-yloxyethyl)-1,2,4-triazol-3-one.
What is the SMILES notation for 4-methyl-2-(2-propan-2-yloxyethyl)-1,2,4-triazol-3-one?
The canonical SMILES for 4-methyl-2-(2-propan-2-yloxyethyl)-1,2,4-triazol-3-one is CC(C)OCCn1ncn(C)c1=O.
What is the InChIKey of 4-methyl-2-(2-propan-2-yloxyethyl)-1,2,4-triazol-3-one?
The InChIKey is LSZVRDURSMMILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-7(2)13-5-4-11-8(12)10(3)6-9-11/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-methyl-2-(2-propan-2-yloxyethyl)-1,2,4-triazol-3-one?
4-methyl-2-(2-propan-2-yloxyethyl)-1,2,4-triazol-3-one has a molecular weight of 185.23 g/mol, XLogP of 0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-propan-2-yloxyethyl)-1,2,4-triazol-3-one is sourced from PubChem (CID 115773684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).