1-pyridin-4-yl-5-(trifluoromethyl)benzotriazole

C12H7F3N4 — CID 134298648

IUPAC1-pyridin-4-yl-5-(trifluoromethyl)benzotriazole
SMILESFC(F)(F)c1ccc2c(c1)nnn2-c1ccncc1
InChIInChI=1S/C12H7F3N4/c13-12(14,15)8-1-2-11-10(7-8)17-18-19(11)9-3-5-16-6-4-9/h1-7H
InChIKeyICUCEBHYGMWIML-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.83
Rot. Bonds1

About 1-pyridin-4-yl-5-(trifluoromethyl)benzotriazole

1-pyridin-4-yl-5-(trifluoromethyl)benzotriazole (PubChem CID 134298648) has the molecular formula C12H7F3N4 and a molecular weight of 264.21 g/mol. Its IUPAC name is 1-pyridin-4-yl-5-(trifluoromethyl)benzotriazole.

Molecular Properties

Compound Name1-pyridin-4-yl-5-(trifluoromethyl)benzotriazole
PubChem CID134298648
Molecular FormulaC12H7F3N4
Molecular Weight264.21 g/mol
Exact Mass264.06
IUPAC Name1-pyridin-4-yl-5-(trifluoromethyl)benzotriazole
SMILESFC(F)(F)c1ccc2c(c1)nnn2-c1ccncc1
InChIInChI=1S/C12H7F3N4/c13-12(14,15)8-1-2-11-10(7-8)17-18-19(11)9-3-5-16-6-4-9/h1-7H
InChIKeyICUCEBHYGMWIML-UHFFFAOYSA-N
XLogP2.83
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[6-(trifluoromethyl)benzotriazol-1-yl]phenyl]acetamide
CID 86252735
3-[4-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridine
CID 13359275
2-[4-(benzotriazol-1-yl)phenyl]-6-(trifluoromethyl)-1,3-benzothiazole
CID 127050985
6-(trifluoromethyl)benzotriazol-1-amine
CID 123807461
1-piperidin-4-yl-5-(trifluoromethyl)benzotriazole;hydrate;hydrochloride
CID 53444633
4-(triazolo[4,5-c]pyridin-1-yl)aniline
CID 117159529
1-(4-chlorophenyl)benzotriazol-5-ol
CID 69105798
1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)benzimidazole
CID 66614356
1-[3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-5-yl]benzotriazole
CID 155772221
1-propyl-6-(trifluoromethyl)benzotriazole
CID 134298697
1-[[3-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine
CID 117159469
[1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-yl]methanamine
CID 168830408

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-5-(trifluoromethyl)benzotriazole?
The IUPAC name of 1-pyridin-4-yl-5-(trifluoromethyl)benzotriazole (CID 134298648) is 1-pyridin-4-yl-5-(trifluoromethyl)benzotriazole.
What is the SMILES notation for 1-pyridin-4-yl-5-(trifluoromethyl)benzotriazole?
The canonical SMILES for 1-pyridin-4-yl-5-(trifluoromethyl)benzotriazole is FC(F)(F)c1ccc2c(c1)nnn2-c1ccncc1.
What is the InChIKey of 1-pyridin-4-yl-5-(trifluoromethyl)benzotriazole?
The InChIKey is ICUCEBHYGMWIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4/c13-12(14,15)8-1-2-11-10(7-8)17-18-19(11)9-3-5-16-6-4-9/h1-7H.
What are the key properties of 1-pyridin-4-yl-5-(trifluoromethyl)benzotriazole?
1-pyridin-4-yl-5-(trifluoromethyl)benzotriazole has a molecular weight of 264.21 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-5-(trifluoromethyl)benzotriazole is sourced from PubChem (CID 134298648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).