N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyridin-2-amine

C15H12F3N5O — CID 130302282

IUPACN-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyridin-2-amine
SMILESFc1ccc(-n2cc(CNc3ccccn3)nn2)cc1OC(F)F
InChIInChI=1S/C15H12F3N5O/c16-12-5-4-11(7-13(12)24-15(17)18)23-9-10(21-22-23)8-20-14-3-1-2-6-19-14/h1-7,9,15H,8H2,(H,19,20)
InChIKeyJXNHBWJWUKGKKX-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.01
Rot. Bonds6

About N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyridin-2-amine

N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyridin-2-amine (PubChem CID 130302282) has the molecular formula C15H12F3N5O and a molecular weight of 335.29 g/mol. Its IUPAC name is N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyridin-2-amine
PubChem CID130302282
Molecular FormulaC15H12F3N5O
Molecular Weight335.29 g/mol
Exact Mass335.10
IUPAC NameN-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyridin-2-amine
SMILESFc1ccc(-n2cc(CNc3ccccn3)nn2)cc1OC(F)F
InChIInChI=1S/C15H12F3N5O/c16-12-5-4-11(7-13(12)24-15(17)18)23-9-10(21-22-23)8-20-14-3-1-2-6-19-14/h1-7,9,15H,8H2,(H,19,20)
InChIKeyJXNHBWJWUKGKKX-UHFFFAOYSA-N
XLogP3.01
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyridin-2-amine?
The IUPAC name of N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyridin-2-amine (CID 130302282) is N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyridin-2-amine is Fc1ccc(-n2cc(CNc3ccccn3)nn2)cc1OC(F)F.
What is the InChIKey of N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyridin-2-amine?
The InChIKey is JXNHBWJWUKGKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O/c16-12-5-4-11(7-13(12)24-15(17)18)23-9-10(21-22-23)8-20-14-3-1-2-6-19-14/h1-7,9,15H,8H2,(H,19,20).
What are the key properties of N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyridin-2-amine?
N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyridin-2-amine has a molecular weight of 335.29 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 130302282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).