(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone

C15H10F3N5O — CID 162658409

IUPAC(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESNc1nc(-c2ccccn2)nn1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10F3N5O/c16-15(17,18)10-6-4-9(5-7-10)13(24)23-14(19)21-12(22-23)11-3-1-2-8-20-11/h1-8H,(H2,19,21,22)
InChIKeyOTFGFYGXBRSCPI-UHFFFAOYSA-N
MW333.27 g/mol
LogP2.63
Rot. Bonds2

About (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone

(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 162658409) has the molecular formula C15H10F3N5O and a molecular weight of 333.27 g/mol. Its IUPAC name is (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID162658409
Molecular FormulaC15H10F3N5O
Molecular Weight333.27 g/mol
Exact Mass333.08
IUPAC Name(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESNc1nc(-c2ccccn2)nn1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10F3N5O/c16-15(17,18)10-6-4-9(5-7-10)13(24)23-14(19)21-12(22-23)11-3-1-2-8-20-11/h1-8H,(H2,19,21,22)
InChIKeyOTFGFYGXBRSCPI-UHFFFAOYSA-N
XLogP2.63
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-Azanyl-6-[1-Methyl-5-(1-Phenylcyclopropyl)-1,2,4-Triazol-3-Yl]pyrazin-2-Yl]benzamide
CID 126480574
1-(4-methylbenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970375
3,5-bis(fluoranyl)-~{N}-oxidanyl-4-[(5-pyrimidin-2-yl-1,2,3,4-tetrazol-2-yl)methyl]benzamide
CID 155534057
1-(4-fluorobenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 972160
Benzamide, N-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-
CID 935059
Selective PI3Kdelta Inhibitor 1
CID 137661516
1-(3-phenylpropanoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 971024
[5-amino-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](phenyl)methanone
CID 3613559
N-[5-(3-Pyridin-3-yl-5-trifluoromethyl-pyrazol-1-yl)-pyrimidin-2-yl]-benzamide
CID 52940693
2-fluoro-4-[6-(4-fluorobutylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]benzamide
CID 56659740
2-fluoro-4-[6-(5-fluoropentylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]benzamide
CID 56673592
2-fluoro-4-[6-(3-fluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]benzamide
CID 56676914

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone (CID 162658409) is (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone is Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is OTFGFYGXBRSCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5O/c16-15(17,18)10-6-4-9(5-7-10)13(24)23-14(19)21-12(22-23)11-3-1-2-8-20-11/h1-8H,(H2,19,21,22).
What are the key properties of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 333.27 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 162658409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).