6-(trifluoromethyl)benzotriazol-1-amine

C7H5F3N4 — CID 123807461

IUPAC6-(trifluoromethyl)benzotriazol-1-amine
SMILESNn1nnc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C7H5F3N4/c8-7(9,10)4-1-2-5-6(3-4)14(11)13-12-5/h1-3H,11H2
InChIKeyUWFPZDOYAGCEDW-UHFFFAOYSA-N
MW202.14 g/mol
LogP1.16
Rot. Bonds

About 6-(trifluoromethyl)benzotriazol-1-amine

6-(trifluoromethyl)benzotriazol-1-amine (PubChem CID 123807461) has the molecular formula C7H5F3N4 and a molecular weight of 202.14 g/mol. Its IUPAC name is 6-(trifluoromethyl)benzotriazol-1-amine.

Molecular Properties

Compound Name6-(trifluoromethyl)benzotriazol-1-amine
PubChem CID123807461
Molecular FormulaC7H5F3N4
Molecular Weight202.14 g/mol
Exact Mass202.05
IUPAC Name6-(trifluoromethyl)benzotriazol-1-amine
SMILESNn1nnc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C7H5F3N4/c8-7(9,10)4-1-2-5-6(3-4)14(11)13-12-5/h1-3H,11H2
InChIKeyUWFPZDOYAGCEDW-UHFFFAOYSA-N
XLogP1.16
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propyl-6-(trifluoromethyl)benzotriazole
CID 134298697
2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
CID 7697159
2,7-bis(trifluoromethyl)carbazol-9-amine
CID 139575648
2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetic acid
CID 45034960
[1-propan-2-yl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine
CID 115059612
N-[4-[6-(trifluoromethyl)benzotriazol-1-yl]phenyl]acetamide
CID 86252735
[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine
CID 115059614
1-pyridin-4-yl-5-(trifluoromethyl)benzotriazole
CID 134298648
3,4-diamino-6-(trifluoromethyl)quinazolin-2-one
CID 59320586
2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole
CID 156865270
N-octyl-N-[[6-(trifluoromethyl)benzotriazol-1-yl]methyl]octan-1-amine
CID 134298706
6-(trifluoromethyl)quinazolin-2-amine
CID 10584686

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)benzotriazol-1-amine?
The IUPAC name of 6-(trifluoromethyl)benzotriazol-1-amine (CID 123807461) is 6-(trifluoromethyl)benzotriazol-1-amine.
What is the SMILES notation for 6-(trifluoromethyl)benzotriazol-1-amine?
The canonical SMILES for 6-(trifluoromethyl)benzotriazol-1-amine is Nn1nnc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 6-(trifluoromethyl)benzotriazol-1-amine?
The InChIKey is UWFPZDOYAGCEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4/c8-7(9,10)4-1-2-5-6(3-4)14(11)13-12-5/h1-3H,11H2.
What are the key properties of 6-(trifluoromethyl)benzotriazol-1-amine?
6-(trifluoromethyl)benzotriazol-1-amine has a molecular weight of 202.14 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)benzotriazol-1-amine is sourced from PubChem (CID 123807461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).