4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]-2-(trifluoromethyl)pyridine

C17H12F6N4 — CID 90109724

IUPAC4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]-2-(trifluoromethyl)pyridine
SMILESCc1nn(-c2ccc(C(F)(F)F)cc2)nc1Cc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C17H12F6N4/c1-10-14(8-11-6-7-24-15(9-11)17(21,22)23)26-27(25-10)13-4-2-12(3-5-13)16(18,19)20/h2-7,9H,8H2,1H3
InChIKeyKQNXFONNTJRNPU-UHFFFAOYSA-N
MW386.30 g/mol
LogP4.60
Rot. Bonds3

About 4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]-2-(trifluoromethyl)pyridine

4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]-2-(trifluoromethyl)pyridine (PubChem CID 90109724) has the molecular formula C17H12F6N4 and a molecular weight of 386.30 g/mol. Its IUPAC name is 4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]-2-(trifluoromethyl)pyridine
PubChem CID90109724
Molecular FormulaC17H12F6N4
Molecular Weight386.30 g/mol
Exact Mass386.10
IUPAC Name4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]-2-(trifluoromethyl)pyridine
SMILESCc1nn(-c2ccc(C(F)(F)F)cc2)nc1Cc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C17H12F6N4/c1-10-14(8-11-6-7-24-15(9-11)17(21,22)23)26-27(25-10)13-4-2-12(3-5-13)16(18,19)20/h2-7,9H,8H2,1H3
InChIKeyKQNXFONNTJRNPU-UHFFFAOYSA-N
XLogP4.60
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(iodomethyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]triazole
CID 162603185
[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 59645338
2-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]-1-benzothiophen-5-yl]oxy]acetic acid
CID 11669514
2,2-dimethyl-3-[2-methyl-4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methylsulfanyl]phenyl]propanoic acid
CID 69255325
4-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine
CID 141413257
4-[[5-ethoxy-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]methyl]-2-(trifluoromethyl)pyridine
CID 118903071
2-[[2-(trifluoromethyl)-4-pyridinyl]methyl]phenol
CID 162542141
2-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propan-2-amine
CID 155163777
4-methyl-2-[4-(trifluoromethyl)phenyl]-5-[5-(trifluoromethyl)thiophen-3-yl]oxytriazole
CID 90111975
2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]-3-[2-methyl-4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methylsulfanyl]phenoxy]butanedioic acid
CID 175188913
2-[2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride
CID 155858331
N-methyl-1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazol-4-amine
CID 175103216

Frequently Asked Questions

What is the IUPAC name of 4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]-2-(trifluoromethyl)pyridine (CID 90109724) is 4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]-2-(trifluoromethyl)pyridine is Cc1nn(-c2ccc(C(F)(F)F)cc2)nc1Cc1ccnc(C(F)(F)F)c1.
What is the InChIKey of 4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]-2-(trifluoromethyl)pyridine?
The InChIKey is KQNXFONNTJRNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F6N4/c1-10-14(8-11-6-7-24-15(9-11)17(21,22)23)26-27(25-10)13-4-2-12(3-5-13)16(18,19)20/h2-7,9H,8H2,1H3.
What are the key properties of 4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]-2-(trifluoromethyl)pyridine?
4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]-2-(trifluoromethyl)pyridine has a molecular weight of 386.30 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 90109724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).