5-chloro-N-methyl-2-[4-(trifluoromethyl)triazol-1-yl]aniline

C10H8ClF3N4 — CID 162615015

IUPAC5-chloro-N-methyl-2-[4-(trifluoromethyl)triazol-1-yl]aniline
SMILESCNc1cc(Cl)ccc1-n1cc(C(F)(F)F)nn1
InChIInChI=1S/C10H8ClF3N4/c1-15-7-4-6(11)2-3-8(7)18-5-9(16-17-18)10(12,13)14/h2-5,15H,1H3
InChIKeyLTPKFWPHLWJSCY-UHFFFAOYSA-N
MW276.65 g/mol
LogP2.98
Rot. Bonds2

About 5-chloro-N-methyl-2-[4-(trifluoromethyl)triazol-1-yl]aniline

5-chloro-N-methyl-2-[4-(trifluoromethyl)triazol-1-yl]aniline (PubChem CID 162615015) has the molecular formula C10H8ClF3N4 and a molecular weight of 276.65 g/mol. Its IUPAC name is 5-chloro-N-methyl-2-[4-(trifluoromethyl)triazol-1-yl]aniline.

Molecular Properties

Compound Name5-chloro-N-methyl-2-[4-(trifluoromethyl)triazol-1-yl]aniline
PubChem CID162615015
Molecular FormulaC10H8ClF3N4
Molecular Weight276.65 g/mol
Exact Mass276.04
IUPAC Name5-chloro-N-methyl-2-[4-(trifluoromethyl)triazol-1-yl]aniline
SMILESCNc1cc(Cl)ccc1-n1cc(C(F)(F)F)nn1
InChIInChI=1S/C10H8ClF3N4/c1-15-7-4-6(11)2-3-8(7)18-5-9(16-17-18)10(12,13)14/h2-5,15H,1H3
InChIKeyLTPKFWPHLWJSCY-UHFFFAOYSA-N
XLogP2.98
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.65
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-2-[4-(trifluoromethyl)triazol-1-yl]aniline?
The IUPAC name of 5-chloro-N-methyl-2-[4-(trifluoromethyl)triazol-1-yl]aniline (CID 162615015) is 5-chloro-N-methyl-2-[4-(trifluoromethyl)triazol-1-yl]aniline.
What is the SMILES notation for 5-chloro-N-methyl-2-[4-(trifluoromethyl)triazol-1-yl]aniline?
The canonical SMILES for 5-chloro-N-methyl-2-[4-(trifluoromethyl)triazol-1-yl]aniline is CNc1cc(Cl)ccc1-n1cc(C(F)(F)F)nn1.
What is the InChIKey of 5-chloro-N-methyl-2-[4-(trifluoromethyl)triazol-1-yl]aniline?
The InChIKey is LTPKFWPHLWJSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4/c1-15-7-4-6(11)2-3-8(7)18-5-9(16-17-18)10(12,13)14/h2-5,15H,1H3.
What are the key properties of 5-chloro-N-methyl-2-[4-(trifluoromethyl)triazol-1-yl]aniline?
5-chloro-N-methyl-2-[4-(trifluoromethyl)triazol-1-yl]aniline has a molecular weight of 276.65 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-2-[4-(trifluoromethyl)triazol-1-yl]aniline is sourced from PubChem (CID 162615015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).