N-[4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine

C24H22F3N5 — CID 71008480

IUPACN-[4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
SMILESCc1cc(-c2ccc(Nc3nc(-c4cccc(C(F)(F)F)c4)n(C(C)C)n3)cc2)ccn1
InChIInChI=1S/C24H22F3N5/c1-15(2)32-22(19-5-4-6-20(14-19)24(25,26)27)30-23(31-32)29-21-9-7-17(8-10-21)18-11-12-28-16(3)13-18/h4-15H,1-3H3,(H,29,31)
InChIKeyXRIIDMTYUSZAJS-UHFFFAOYSA-N
MW437.47 g/mol
LogP6.66
Rot. Bonds5

About N-[4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine

N-[4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine (PubChem CID 71008480) has the molecular formula C24H22F3N5 and a molecular weight of 437.47 g/mol. Its IUPAC name is N-[4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
PubChem CID71008480
Molecular FormulaC24H22F3N5
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC NameN-[4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
SMILESCc1cc(-c2ccc(Nc3nc(-c4cccc(C(F)(F)F)c4)n(C(C)C)n3)cc2)ccn1
InChIInChI=1S/C24H22F3N5/c1-15(2)32-22(19-5-4-6-20(14-19)24(25,26)27)30-23(31-32)29-21-9-7-17(8-10-21)18-11-12-28-16(3)13-18/h4-15H,1-3H3,(H,29,31)
InChIKeyXRIIDMTYUSZAJS-UHFFFAOYSA-N
XLogP6.66
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.47
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 71008576
N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-amine
CID 53327562
8-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 67324177
N-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186438
N-(4-methylphenyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 143916076
N-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]phenyl]pyrimidin-2-amine
CID 69061776
N-(4-ethylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 44605400
2-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 23459935
N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazol-3-amine
CID 53327509
4-[3-(4-fluoro-3-methylanilino)-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]butan-2-ol
CID 68731918
2-N-(3-methylphenyl)-8-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine
CID 66584169
5-(4-fluorophenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186193

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine?
The IUPAC name of N-[4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine (CID 71008480) is N-[4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine?
The canonical SMILES for N-[4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine is Cc1cc(-c2ccc(Nc3nc(-c4cccc(C(F)(F)F)c4)n(C(C)C)n3)cc2)ccn1.
What is the InChIKey of N-[4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine?
The InChIKey is XRIIDMTYUSZAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5/c1-15(2)32-22(19-5-4-6-20(14-19)24(25,26)27)30-23(31-32)29-21-9-7-17(8-10-21)18-11-12-28-16(3)13-18/h4-15H,1-3H3,(H,29,31).
What are the key properties of N-[4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine?
N-[4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine has a molecular weight of 437.47 g/mol, XLogP of 6.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 71008480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).