[4-(benzotriazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine

C14H11F3N4 — CID 43320862

IUPAC[4-(benzotriazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(-n2nnc3ccccc32)cc1C(F)(F)F
InChIInChI=1S/C14H11F3N4/c15-14(16,17)11-7-10(6-5-9(11)8-18)21-13-4-2-1-3-12(13)19-20-21/h1-7H,8,18H2
InChIKeyHLZFLAGIHCWIOS-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.90
Rot. Bonds2

About [4-(benzotriazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine

[4-(benzotriazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 43320862) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is [4-(benzotriazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(benzotriazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine
PubChem CID43320862
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name[4-(benzotriazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(-n2nnc3ccccc32)cc1C(F)(F)F
InChIInChI=1S/C14H11F3N4/c15-14(16,17)11-7-10(6-5-9(11)8-18)21-13-4-2-1-3-12(13)19-20-21/h1-7H,8,18H2
InChIKeyHLZFLAGIHCWIOS-UHFFFAOYSA-N
XLogP2.90
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(benzotriazol-1-yl)-5-methylphenyl]methanamine
CID 114016678
[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 62130684
1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 64782151
1-[4-prop-2-enyl-2-(trifluoromethyl)phenyl]benzotriazole
CID 146229284
3-(benzotriazol-1-yl)benzoic acid
CID 63942082
2-amino-5-(benzotriazol-1-yl)benzonitrile
CID 113324056
[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 43320822
1-(6-ethyl-3-pyridinyl)benzotriazole
CID 71251424
[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83189865
[1-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanamine
CID 82196888
[2-(benzotriazol-1-yl)pyrimidin-4-yl]methanamine
CID 107542354
2-[4-(benzotriazol-1-yl)phenyl]-6-(trifluoromethyl)-1,3-benzothiazole
CID 127050985

Frequently Asked Questions

What is the IUPAC name of [4-(benzotriazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-(benzotriazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine (CID 43320862) is [4-(benzotriazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-(benzotriazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-(benzotriazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine is NCc1ccc(-n2nnc3ccccc32)cc1C(F)(F)F.
What is the InChIKey of [4-(benzotriazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is HLZFLAGIHCWIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c15-14(16,17)11-7-10(6-5-9(11)8-18)21-13-4-2-1-3-12(13)19-20-21/h1-7H,8,18H2.
What are the key properties of [4-(benzotriazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine?
[4-(benzotriazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 292.26 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzotriazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 43320862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).