N-[8-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C17H14N4O2 — CID 86656206

IUPACN-[8-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=Cc1ccc(-c2cccn3nc(NC(=O)C4CC4)nc23)cc1
InChIInChI=1S/C17H14N4O2/c22-10-11-3-5-12(6-4-11)14-2-1-9-21-15(14)18-17(20-21)19-16(23)13-7-8-13/h1-6,9-10,13H,7-8H2,(H,19,20,23)
InChIKeyZSBRKGIOBRLFMF-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.56
Rot. Bonds4

About N-[8-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[8-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 86656206) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-[8-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID86656206
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC NameN-[8-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=Cc1ccc(-c2cccn3nc(NC(=O)C4CC4)nc23)cc1
InChIInChI=1S/C17H14N4O2/c22-10-11-3-5-12(6-4-11)14-2-1-9-21-15(14)18-17(20-21)19-16(23)13-7-8-13/h1-6,9-10,13H,7-8H2,(H,19,20,23)
InChIKeyZSBRKGIOBRLFMF-UHFFFAOYSA-N
XLogP2.56
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[8-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 86656206) is N-[8-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=Cc1ccc(-c2cccn3nc(NC(=O)C4CC4)nc23)cc1.
What is the InChIKey of N-[8-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is ZSBRKGIOBRLFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c22-10-11-3-5-12(6-4-11)14-2-1-9-21-15(14)18-17(20-21)19-16(23)13-7-8-13/h1-6,9-10,13H,7-8H2,(H,19,20,23).
What are the key properties of N-[8-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[8-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 306.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 86656206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).