ethyl 2-[4-(3-pyridin-4-ylpropanoylamino)triazol-2-yl]acetate

C14H17N5O3 — CID 112535519

IUPACethyl 2-[4-(3-pyridin-4-ylpropanoylamino)triazol-2-yl]acetate
SMILESCCOC(=O)Cn1ncc(NC(=O)CCc2ccncc2)n1
InChIInChI=1S/C14H17N5O3/c1-2-22-14(21)10-19-16-9-12(18-19)17-13(20)4-3-11-5-7-15-8-6-11/h5-9H,2-4,10H2,1H3,(H,17,18,20)
InChIKeyWZXZAUFKUZFZCQ-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.81
Rot. Bonds7

About ethyl 2-[4-(3-pyridin-4-ylpropanoylamino)triazol-2-yl]acetate

ethyl 2-[4-(3-pyridin-4-ylpropanoylamino)triazol-2-yl]acetate (PubChem CID 112535519) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is ethyl 2-[4-(3-pyridin-4-ylpropanoylamino)triazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(3-pyridin-4-ylpropanoylamino)triazol-2-yl]acetate
PubChem CID112535519
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Nameethyl 2-[4-(3-pyridin-4-ylpropanoylamino)triazol-2-yl]acetate
SMILESCCOC(=O)Cn1ncc(NC(=O)CCc2ccncc2)n1
InChIInChI=1S/C14H17N5O3/c1-2-22-14(21)10-19-16-9-12(18-19)17-13(20)4-3-11-5-7-15-8-6-11/h5-9H,2-4,10H2,1H3,(H,17,18,20)
InChIKeyWZXZAUFKUZFZCQ-UHFFFAOYSA-N
XLogP0.81
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[4-(3-pyridin-4-ylpropanoylamino)triazol-2-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

Related Compounds

ethyl 2-[4-(3-pyrrolidin-1-ylpropanoylamino)triazol-2-yl]acetate
CID 112535446
ethyl 2-[4-[(2-phenoxyacetyl)amino]triazol-2-yl]acetate
CID 112535524
methyl N-[2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]triazol-4-yl]carbamate
CID 112530230
ethyl 2-[4-[(3-methoxybenzoyl)amino]triazol-2-yl]acetate
CID 112535456
ethyl N-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]carbamate
CID 112522203
ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate
CID 112520587
2-[4-[3-(2-methylphenyl)propanoylamino]triazol-2-yl]acetic acid
CID 112534468
N-(1-methylpyrazol-4-yl)-3-pyridin-4-ylpropanamide
CID 60508064
ethyl N-[2-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]carbamate
CID 112530460
N-(6-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide
CID 46480468
methyl N-[2-[2-oxo-2-(pyrimidin-4-ylamino)ethyl]triazol-4-yl]carbamate
CID 112524310
N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylpropanamide
CID 134695978

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(3-pyridin-4-ylpropanoylamino)triazol-2-yl]acetate?
The IUPAC name of ethyl 2-[4-(3-pyridin-4-ylpropanoylamino)triazol-2-yl]acetate (CID 112535519) is ethyl 2-[4-(3-pyridin-4-ylpropanoylamino)triazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(3-pyridin-4-ylpropanoylamino)triazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[4-(3-pyridin-4-ylpropanoylamino)triazol-2-yl]acetate is CCOC(=O)Cn1ncc(NC(=O)CCc2ccncc2)n1.
What is the InChIKey of ethyl 2-[4-(3-pyridin-4-ylpropanoylamino)triazol-2-yl]acetate?
The InChIKey is WZXZAUFKUZFZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-2-22-14(21)10-19-16-9-12(18-19)17-13(20)4-3-11-5-7-15-8-6-11/h5-9H,2-4,10H2,1H3,(H,17,18,20).
What are the key properties of ethyl 2-[4-(3-pyridin-4-ylpropanoylamino)triazol-2-yl]acetate?
ethyl 2-[4-(3-pyridin-4-ylpropanoylamino)triazol-2-yl]acetate has a molecular weight of 303.32 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(3-pyridin-4-ylpropanoylamino)triazol-2-yl]acetate is sourced from PubChem (CID 112535519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).