N-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C19H14F3N5O — CID 44554487

IUPACN-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(Nc2nc3c(-c4cccc(OC(F)(F)F)c4)cccn3n2)ccn1
InChIInChI=1S/C19H14F3N5O/c1-12-10-14(7-8-23-12)24-18-25-17-16(6-3-9-27(17)26-18)13-4-2-5-15(11-13)28-19(20,21)22/h2-11H,1H3,(H,23,24,26)
InChIKeyPQKJDYWDWCVVFJ-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.74
Rot. Bonds4

About N-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 44554487) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is N-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID44554487
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC NameN-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(Nc2nc3c(-c4cccc(OC(F)(F)F)c4)cccn3n2)ccn1
InChIInChI=1S/C19H14F3N5O/c1-12-10-14(7-8-23-12)24-18-25-17-16(6-3-9-27(17)26-18)13-4-2-5-15(11-13)28-19(20,21)22/h2-11H,1H3,(H,23,24,26)
InChIKeyPQKJDYWDWCVVFJ-UHFFFAOYSA-N
XLogP4.74
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 44554487) is N-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cc(Nc2nc3c(-c4cccc(OC(F)(F)F)c4)cccn3n2)ccn1.
What is the InChIKey of N-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is PQKJDYWDWCVVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c1-12-10-14(7-8-23-12)24-18-25-17-16(6-3-9-27(17)26-18)13-4-2-5-15(11-13)28-19(20,21)22/h2-11H,1H3,(H,23,24,26).
What are the key properties of N-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 385.35 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 44554487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).