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

C14H9F3N4 — CID 1489418

IUPACN-[4-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine
SMILESFC(F)(F)c1ccc(Nc2nnnc3ccccc23)cc1
InChIInChI=1S/C14H9F3N4/c15-14(16,17)9-5-7-10(8-6-9)18-13-11-3-1-2-4-12(11)19-21-20-13/h1-8H,(H,18,19,20)
InChIKeyBTQQRTVTLFERGV-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.79
Rot. Bonds2

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

N-[4-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine (PubChem CID 1489418) has the molecular formula C14H9F3N4 and a molecular weight of 290.25 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine
PubChem CID1489418
Molecular FormulaC14H9F3N4
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC NameN-[4-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine
SMILESFC(F)(F)c1ccc(Nc2nnnc3ccccc23)cc1
InChIInChI=1S/C14H9F3N4/c15-14(16,17)9-5-7-10(8-6-9)18-13-11-3-1-2-4-12(11)19-21-20-13/h1-8H,(H,18,19,20)
InChIKeyBTQQRTVTLFERGV-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-(3-bromophenyl)-1,2,3-benzotriazin-4-amine
CID 5328023
N-(4-fluorophenyl)-4-methylphthalazin-1-amine
CID 1386569
N-[3-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine
CID 1489417
N-(2,4-dimethylphenyl)-4-methylphthalazin-1-amine
CID 2869379
N-(3-phenylpropyl)-1,2,3-benzotriazin-4-amine
CID 300101
N-[4-(trifluoromethyl)phenyl]quinolin-2-amine
CID 53325790
4-[Benzylamino]benzo-1,2,3-triazine
CID 288280
4-methyl-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine
CID 1391463
N-(2,4-dimethylphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
CID 25022976
N-(4-(trifluoromethyl)phenyl)-1H-indazol-3-amine
CID 45484867
N-(4-chlorophenyl)-1,2,3-benzotriazin-4-amine
CID 134987131
2-n-Propyl-4-4-tolylamino-1,2,3-benzotriazinium
CID 170817

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine (CID 1489418) is N-[4-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine is FC(F)(F)c1ccc(Nc2nnnc3ccccc23)cc1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine?
The InChIKey is BTQQRTVTLFERGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4/c15-14(16,17)9-5-7-10(8-6-9)18-13-11-3-1-2-4-12(11)19-21-20-13/h1-8H,(H,18,19,20).
What are the key properties of N-[4-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine?
N-[4-(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-[4-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine is sourced from PubChem (CID 1489418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).