N-[3-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine

C14H9F3N4 — CID 1489417

IUPACN-[3-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine
SMILESFC(F)(F)c1cccc(Nc2nnnc3ccccc23)c1
InChIInChI=1S/C14H9F3N4/c15-14(16,17)9-4-3-5-10(8-9)18-13-11-6-1-2-7-12(11)19-21-20-13/h1-8H,(H,18,19,20)
InChIKeyVQWFCYNCWYNCCU-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.79
Rot. Bonds2

About N-[3-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine

N-[3-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine (PubChem CID 1489417) has the molecular formula C14H9F3N4 and a molecular weight of 290.25 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine
PubChem CID1489417
Molecular FormulaC14H9F3N4
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC NameN-[3-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine
SMILESFC(F)(F)c1cccc(Nc2nnnc3ccccc23)c1
InChIInChI=1S/C14H9F3N4/c15-14(16,17)9-4-3-5-10(8-9)18-13-11-6-1-2-7-12(11)19-21-20-13/h1-8H,(H,18,19,20)
InChIKeyVQWFCYNCWYNCCU-UHFFFAOYSA-N
XLogP3.79
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine
CID 1489418
N-(3-bromophenyl)-1,2,3-benzotriazin-4-amine
CID 5328023
N-(4-fluorophenyl)-4-methylphthalazin-1-amine
CID 1386569
N-(3-phenylpropyl)-1,2,3-benzotriazin-4-amine
CID 300101
2-methyl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 45270054
N-(6-methyl-3-pyridazinyl)-N-[3-(trifluoromethyl)phenyl]amine
CID 6402449
N-[3-(trifluoromethyl)phenyl]quinolin-2-amine
CID 53326917
4-[Benzylamino]benzo-1,2,3-triazine
CID 288280
4-methyl-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine
CID 1391463
N-(4-chlorophenyl)-1,2,3-benzotriazin-4-amine
CID 134987131
2-n-Propyl-4-4-tolylamino-1,2,3-benzotriazinium
CID 170817
n-(2-Chlorophenyl)-1,2,3-benzotriazin-4-amine
CID 284272

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine (CID 1489417) is N-[3-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine is FC(F)(F)c1cccc(Nc2nnnc3ccccc23)c1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine?
The InChIKey is VQWFCYNCWYNCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4/c15-14(16,17)9-4-3-5-10(8-9)18-13-11-6-1-2-7-12(11)19-21-20-13/h1-8H,(H,18,19,20).
What are the key properties of N-[3-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine?
N-[3-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine has a molecular weight of 290.25 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine is sourced from PubChem (CID 1489417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).