N-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C18H12F3N5 — CID 59186438

IUPACN-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFC(F)(F)c1cccc(-c2cccc3nc(Nc4ccncc4)nn23)c1
InChIInChI=1S/C18H12F3N5/c19-18(20,21)13-4-1-3-12(11-13)15-5-2-6-16-24-17(25-26(15)16)23-14-7-9-22-10-8-14/h1-11H,(H,22,23,25)
InChIKeyJHOVVJCCVWRYHQ-UHFFFAOYSA-N
MW355.32 g/mol
LogP4.55
Rot. Bonds3

About N-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59186438) has the molecular formula C18H12F3N5 and a molecular weight of 355.32 g/mol. Its IUPAC name is N-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59186438
Molecular FormulaC18H12F3N5
Molecular Weight355.32 g/mol
Exact Mass355.10
IUPAC NameN-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFC(F)(F)c1cccc(-c2cccc3nc(Nc4ccncc4)nn23)c1
InChIInChI=1S/C18H12F3N5/c19-18(20,21)13-4-1-3-12(11-13)15-5-2-6-16-24-17(25-26(15)16)23-14-7-9-22-10-8-14/h1-11H,(H,22,23,25)
InChIKeyJHOVVJCCVWRYHQ-UHFFFAOYSA-N
XLogP4.55
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59186438) is N-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is FC(F)(F)c1cccc(-c2cccc3nc(Nc4ccncc4)nn23)c1.
What is the InChIKey of N-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is JHOVVJCCVWRYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5/c19-18(20,21)13-4-1-3-12(11-13)15-5-2-6-16-24-17(25-26(15)16)23-14-7-9-22-10-8-14/h1-11H,(H,22,23,25).
What are the key properties of N-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 355.32 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59186438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).