3-(2-ethoxy-3-pyridinyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide

C11H13N5O2 — CID 121499647

IUPAC3-(2-ethoxy-3-pyridinyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide
SMILESCCOc1ncccc1-c1n[nH]c(C(=O)NC)n1
InChIInChI=1S/C11H13N5O2/c1-3-18-11-7(5-4-6-13-11)8-14-9(16-15-8)10(17)12-2/h4-6H,3H2,1-2H3,(H,12,17)(H,14,15,16)
InChIKeyJZTLFKUXLMZQMI-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.62
Rot. Bonds4

About 3-(2-ethoxy-3-pyridinyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide

3-(2-ethoxy-3-pyridinyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide (PubChem CID 121499647) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-(2-ethoxy-3-pyridinyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-ethoxy-3-pyridinyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide
PubChem CID121499647
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name3-(2-ethoxy-3-pyridinyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide
SMILESCCOc1ncccc1-c1n[nH]c(C(=O)NC)n1
InChIInChI=1S/C11H13N5O2/c1-3-18-11-7(5-4-6-13-11)8-14-9(16-15-8)10(17)12-2/h4-6H,3H2,1-2H3,(H,12,17)(H,14,15,16)
InChIKeyJZTLFKUXLMZQMI-UHFFFAOYSA-N
XLogP0.62
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2-ethoxy-3-pyridinyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide 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 3-(2-ethoxy-3-pyridinyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-(2-ethoxy-3-pyridinyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide (CID 121499647) is 3-(2-ethoxy-3-pyridinyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-(2-ethoxy-3-pyridinyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-(2-ethoxy-3-pyridinyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide is CCOc1ncccc1-c1n[nH]c(C(=O)NC)n1.
What is the InChIKey of 3-(2-ethoxy-3-pyridinyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is JZTLFKUXLMZQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-3-18-11-7(5-4-6-13-11)8-14-9(16-15-8)10(17)12-2/h4-6H,3H2,1-2H3,(H,12,17)(H,14,15,16).
What are the key properties of 3-(2-ethoxy-3-pyridinyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide?
3-(2-ethoxy-3-pyridinyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 247.26 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-3-pyridinyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 121499647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).