2-pyridin-4-ylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate

C11H13N5O2 — CID 61316460

IUPAC2-pyridin-4-ylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
SMILESNc1ncn(CC(=O)OCCc2ccncc2)n1
InChIInChI=1S/C11H13N5O2/c12-11-14-8-16(15-11)7-10(17)18-6-3-9-1-4-13-5-2-9/h1-2,4-5,8H,3,6-7H2,(H2,12,15)
InChIKeyMJTNXCJJMSGYAW-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.04
Rot. Bonds5

About 2-pyridin-4-ylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate

2-pyridin-4-ylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate (PubChem CID 61316460) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-pyridin-4-ylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate.

Molecular Properties

Compound Name2-pyridin-4-ylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
PubChem CID61316460
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name2-pyridin-4-ylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
SMILESNc1ncn(CC(=O)OCCc2ccncc2)n1
InChIInChI=1S/C11H13N5O2/c12-11-14-8-16(15-11)7-10(17)18-6-3-9-1-4-13-5-2-9/h1-2,4-5,8H,3,6-7H2,(H2,12,15)
InChIKeyMJTNXCJJMSGYAW-UHFFFAOYSA-N
XLogP0.04
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-pyridin-4-ylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate 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 2-pyridin-4-ylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The IUPAC name of 2-pyridin-4-ylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate (CID 61316460) is 2-pyridin-4-ylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate.
What is the SMILES notation for 2-pyridin-4-ylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The canonical SMILES for 2-pyridin-4-ylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate is Nc1ncn(CC(=O)OCCc2ccncc2)n1.
What is the InChIKey of 2-pyridin-4-ylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The InChIKey is MJTNXCJJMSGYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c12-11-14-8-16(15-11)7-10(17)18-6-3-9-1-4-13-5-2-9/h1-2,4-5,8H,3,6-7H2,(H2,12,15).
What are the key properties of 2-pyridin-4-ylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
2-pyridin-4-ylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate has a molecular weight of 247.26 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate is sourced from PubChem (CID 61316460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).