ethyl 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzoate

C13H15N3O3 — CID 65416220

IUPACethyl 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(OCc2ncnn2C)cc1
InChIInChI=1S/C13H15N3O3/c1-3-18-13(17)10-4-6-11(7-5-10)19-8-12-14-9-15-16(12)2/h4-7,9H,3,8H2,1-2H3
InChIKeyRNDQYIDYIQLKFY-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.57
Rot. Bonds5

About ethyl 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzoate

ethyl 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzoate (PubChem CID 65416220) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzoate
PubChem CID65416220
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Nameethyl 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(OCc2ncnn2C)cc1
InChIInChI=1S/C13H15N3O3/c1-3-18-13(17)10-4-6-11(7-5-10)19-8-12-14-9-15-16(12)2/h4-7,9H,3,8H2,1-2H3
InChIKeyRNDQYIDYIQLKFY-UHFFFAOYSA-N
XLogP1.57
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzoate 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-methyl-1,2,4-triazol-3-yl)methyl 4-methylbenzoate
CID 71849931
(1R)-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 79013804
ethyl 4-[2-(1,2,4-triazol-1-yl)ethoxy]benzoate
CID 13457584
ethyl 4-[(4-aminophenoxy)methyl]benzoate
CID 39109130
ethyl 4-octoxybenzoate
CID 18955745
ethyl 4-(4-butoxybenzoyl)benzoate
CID 70804443
ethyl 4-decoxybenzoate
CID 3706251
ethyl 4-[(6-methyl-2-pyridinyl)methoxy]benzoate
CID 79267932
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
ethyl N-[4-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]carbamate
CID 122155317
ethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932618
ethyl 4-(4-pentoxyphenyl)benzoate
CID 70928367

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzoate?
The IUPAC name of ethyl 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzoate (CID 65416220) is ethyl 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzoate.
What is the SMILES notation for ethyl 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzoate?
The canonical SMILES for ethyl 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzoate is CCOC(=O)c1ccc(OCc2ncnn2C)cc1.
What is the InChIKey of ethyl 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzoate?
The InChIKey is RNDQYIDYIQLKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-3-18-13(17)10-4-6-11(7-5-10)19-8-12-14-9-15-16(12)2/h4-7,9H,3,8H2,1-2H3.
What are the key properties of ethyl 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzoate?
ethyl 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzoate has a molecular weight of 261.28 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzoate is sourced from PubChem (CID 65416220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).