N-[5-(4-cyano-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropanamide

C17H12F3N5O2 — CID 122540401

IUPACN-[5-(4-cyano-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropanamide
SMILESCc1cc(C#N)ccc1-c1cc(NC(=O)C(O)C(F)(F)F)cc2ncnn12
InChIInChI=1S/C17H12F3N5O2/c1-9-4-10(7-21)2-3-12(9)13-5-11(6-14-22-8-23-25(13)14)24-16(27)15(26)17(18,19)20/h2-6,8,15,26H,1H3,(H,24,27)
InChIKeyDAQQJOMARAMDDQ-UHFFFAOYSA-N
MW375.31 g/mol
LogP2.44
Rot. Bonds3

About N-[5-(4-cyano-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropanamide

N-[5-(4-cyano-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropanamide (PubChem CID 122540401) has the molecular formula C17H12F3N5O2 and a molecular weight of 375.31 g/mol. Its IUPAC name is N-[5-(4-cyano-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[5-(4-cyano-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropanamide
PubChem CID122540401
Molecular FormulaC17H12F3N5O2
Molecular Weight375.31 g/mol
Exact Mass375.09
IUPAC NameN-[5-(4-cyano-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropanamide
SMILESCc1cc(C#N)ccc1-c1cc(NC(=O)C(O)C(F)(F)F)cc2ncnn12
InChIInChI=1S/C17H12F3N5O2/c1-9-4-10(7-21)2-3-12(9)13-5-11(6-14-22-8-23-25(13)14)24-16(27)15(26)17(18,19)20/h2-6,8,15,26H,1H3,(H,24,27)
InChIKeyDAQQJOMARAMDDQ-UHFFFAOYSA-N
XLogP2.44
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyano-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropanamide?
The IUPAC name of N-[5-(4-cyano-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropanamide (CID 122540401) is N-[5-(4-cyano-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropanamide.
What is the SMILES notation for N-[5-(4-cyano-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropanamide?
The canonical SMILES for N-[5-(4-cyano-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropanamide is Cc1cc(C#N)ccc1-c1cc(NC(=O)C(O)C(F)(F)F)cc2ncnn12.
What is the InChIKey of N-[5-(4-cyano-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropanamide?
The InChIKey is DAQQJOMARAMDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O2/c1-9-4-10(7-21)2-3-12(9)13-5-11(6-14-22-8-23-25(13)14)24-16(27)15(26)17(18,19)20/h2-6,8,15,26H,1H3,(H,24,27).
What are the key properties of N-[5-(4-cyano-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropanamide?
N-[5-(4-cyano-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropanamide has a molecular weight of 375.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-cyano-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3,3,3-trifluoro-2-hydroxypropanamide is sourced from PubChem (CID 122540401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).