N-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3,3,3-trifluoropropanamide

C15H12F3N5O — CID 67216149

IUPACN-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3,3,3-trifluoropropanamide
SMILESNc1nc2ccc(-c3ccc(NC(=O)CC(F)(F)F)cc3)cn2n1
InChIInChI=1S/C15H12F3N5O/c16-15(17,18)7-13(24)20-11-4-1-9(2-5-11)10-3-6-12-21-14(19)22-23(12)8-10/h1-6,8H,7H2,(H2,19,22)(H,20,24)
InChIKeyFDTOOSMMYOPSOL-UHFFFAOYSA-N
MW335.29 g/mol
LogP2.87
Rot. Bonds3

About N-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3,3,3-trifluoropropanamide

N-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3,3,3-trifluoropropanamide (PubChem CID 67216149) has the molecular formula C15H12F3N5O and a molecular weight of 335.29 g/mol. Its IUPAC name is N-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3,3,3-trifluoropropanamide
PubChem CID67216149
Molecular FormulaC15H12F3N5O
Molecular Weight335.29 g/mol
Exact Mass335.10
IUPAC NameN-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3,3,3-trifluoropropanamide
SMILESNc1nc2ccc(-c3ccc(NC(=O)CC(F)(F)F)cc3)cn2n1
InChIInChI=1S/C15H12F3N5O/c16-15(17,18)7-13(24)20-11-4-1-9(2-5-11)10-3-6-12-21-14(19)22-23(12)8-10/h1-6,8H,7H2,(H2,19,22)(H,20,24)
InChIKeyFDTOOSMMYOPSOL-UHFFFAOYSA-N
XLogP2.87
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3,3,3-trifluoropropanamide (CID 67216149) is N-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3,3,3-trifluoropropanamide is Nc1nc2ccc(-c3ccc(NC(=O)CC(F)(F)F)cc3)cn2n1.
What is the InChIKey of N-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3,3,3-trifluoropropanamide?
The InChIKey is FDTOOSMMYOPSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O/c16-15(17,18)7-13(24)20-11-4-1-9(2-5-11)10-3-6-12-21-14(19)22-23(12)8-10/h1-6,8H,7H2,(H2,19,22)(H,20,24).
What are the key properties of N-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3,3,3-trifluoropropanamide?
N-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3,3,3-trifluoropropanamide has a molecular weight of 335.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 67216149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).