4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid

C17H14N4O3 — CID 42597466

IUPAC4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
InChIInChI=1S/C17H14N4O3/c22-15(11-6-7-11)19-17-18-14-3-1-2-13(21(14)20-17)10-4-8-12(9-5-10)16(23)24/h1-5,8-9,11H,6-7H2,(H,23,24)(H,19,20,22)
InChIKeySEMOCONWKDDEHO-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.44
Rot. Bonds4

About 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid

4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid (PubChem CID 42597466) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid
PubChem CID42597466
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
InChIInChI=1S/C17H14N4O3/c22-15(11-6-7-11)19-17-18-14-3-1-2-13(21(14)20-17)10-4-8-12(9-5-10)16(23)24/h1-5,8-9,11H,6-7H2,(H,23,24)(H,19,20,22)
InChIKeySEMOCONWKDDEHO-UHFFFAOYSA-N
XLogP2.44
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid?
The IUPAC name of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid (CID 42597466) is 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid.
What is the SMILES notation for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid?
The canonical SMILES for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid is O=C(O)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1.
What is the InChIKey of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid?
The InChIKey is SEMOCONWKDDEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c22-15(11-6-7-11)19-17-18-14-3-1-2-13(21(14)20-17)10-4-8-12(9-5-10)16(23)24/h1-5,8-9,11H,6-7H2,(H,23,24)(H,19,20,22).
What are the key properties of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid?
4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid has a molecular weight of 322.32 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid is sourced from PubChem (CID 42597466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).