4-ethyl-5-methoxy-2-methyl-1,2,4-triazol-3-one

C6H11N3O2 — CID 18737983

IUPAC4-ethyl-5-methoxy-2-methyl-1,2,4-triazol-3-one
SMILESCCn1c(OC)nn(C)c1=O
InChIInChI=1S/C6H11N3O2/c1-4-9-5(11-3)7-8(2)6(9)10/h4H2,1-3H3
InChIKeyUSJWJWKVEZWKSV-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.39
Rot. Bonds2

About 4-ethyl-5-methoxy-2-methyl-1,2,4-triazol-3-one

4-ethyl-5-methoxy-2-methyl-1,2,4-triazol-3-one (PubChem CID 18737983) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 4-ethyl-5-methoxy-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-5-methoxy-2-methyl-1,2,4-triazol-3-one
PubChem CID18737983
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name4-ethyl-5-methoxy-2-methyl-1,2,4-triazol-3-one
SMILESCCn1c(OC)nn(C)c1=O
InChIInChI=1S/C6H11N3O2/c1-4-9-5(11-3)7-8(2)6(9)10/h4H2,1-3H3
InChIKeyUSJWJWKVEZWKSV-UHFFFAOYSA-N
XLogP-0.39
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-5-methoxy-2-methyl-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

1,4-Diethyl-1,2,4-triazol-5-one
CID 59175718
5-(Difluoromethoxy)-2-methyl-4-propyl-1,2,4-triazol-3-one
CID 178109003
4-Ethyl-2-methyl-5-(trifluoromethoxy)-1,2,4-triazol-3-one
CID 178109418
4-Ethyl-5-fluoro-2-methyl-1,2,4-triazol-3-one
CID 178164510
5-(Difluoromethoxy)-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 178164844
Ethane;4-ethyl-2-methyl-5-(trifluoromethoxy)-1,2,4-triazol-3-one
CID 178813234
3H-1,2,4-Triazol-3-one, 2,4-diethyl-2,4-dihydro-5-methoxy-
CID 593554
1,1-Dimethyl-5-oxo-4-propan-2-yl-1,2,4-triazol-1-ium-3-olate
CID 23279308
1,1-Diethyl-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-ium-3-olate
CID 24193914
4-Ethyl-1-methyl-1H-1,2,4-triazol-5(4H)-one
CID 12033996
1-Ethyl-4-methyl-1H-1,2,4-triazol-5(4H)-one
CID 12033997
5-Ethoxy-2,4-diethyl-1,2,4-triazol-3-one
CID 13610623

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methoxy-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-5-methoxy-2-methyl-1,2,4-triazol-3-one (CID 18737983) is 4-ethyl-5-methoxy-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-5-methoxy-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-5-methoxy-2-methyl-1,2,4-triazol-3-one is CCn1c(OC)nn(C)c1=O.
What is the InChIKey of 4-ethyl-5-methoxy-2-methyl-1,2,4-triazol-3-one?
The InChIKey is USJWJWKVEZWKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-4-9-5(11-3)7-8(2)6(9)10/h4H2,1-3H3.
What are the key properties of 4-ethyl-5-methoxy-2-methyl-1,2,4-triazol-3-one?
4-ethyl-5-methoxy-2-methyl-1,2,4-triazol-3-one has a molecular weight of 157.17 g/mol, XLogP of -0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methoxy-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 18737983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).