[2-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]spiro[2.3]hexan-2-yl]methanamine

C17H19F3N4 — CID 166325528

IUPAC[2-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]spiro[2.3]hexan-2-yl]methanamine
SMILESNCC1(Cn2cc(-c3ccc(C(F)(F)F)cc3)nn2)CC12CCC2
InChIInChI=1S/C17H19F3N4/c18-17(19,20)13-4-2-12(3-5-13)14-8-24(23-22-14)11-16(10-21)9-15(16)6-1-7-15/h2-5,8H,1,6-7,9-11,21H2
InChIKeyYGXLUYAJWGUOHX-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.48
Rot. Bonds4

About [2-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]spiro[2.3]hexan-2-yl]methanamine

[2-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]spiro[2.3]hexan-2-yl]methanamine (PubChem CID 166325528) has the molecular formula C17H19F3N4 and a molecular weight of 336.36 g/mol. Its IUPAC name is [2-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]spiro[2.3]hexan-2-yl]methanamine.

Molecular Properties

Compound Name[2-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]spiro[2.3]hexan-2-yl]methanamine
PubChem CID166325528
Molecular FormulaC17H19F3N4
Molecular Weight336.36 g/mol
Exact Mass336.16
IUPAC Name[2-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]spiro[2.3]hexan-2-yl]methanamine
SMILESNCC1(Cn2cc(-c3ccc(C(F)(F)F)cc3)nn2)CC12CCC2
InChIInChI=1S/C17H19F3N4/c18-17(19,20)13-4-2-12(3-5-13)14-8-24(23-22-14)11-16(10-21)9-15(16)6-1-7-15/h2-5,8H,1,6-7,9-11,21H2
InChIKeyYGXLUYAJWGUOHX-UHFFFAOYSA-N
XLogP3.48
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]spiro[2.3]hexan-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diphenyl-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phosphane
CID 102256886
4-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]triazole
CID 162666489
1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole
CID 150482255
4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-4-ol
CID 155958375
1-methylsulfonyl-4-[4-(trifluoromethyl)phenyl]triazole
CID 53483046
2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]ethyl 4-sulfamoylbenzoate
CID 171342716
2,2-difluoro-5-[[4-(trifluoromethyl)phenyl]methyl]-5-azaspiro[2.5]octane
CID 172905724
2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]pyridine
CID 122389020
1-[(2R)-2-[2-methoxy-4-(4-methylphenyl)phenoxy]propyl]-4-[4-(trifluoromethyl)phenyl]triazole
CID 155536538
1-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]cyclobutane-1-carboxamide
CID 162773616
2-(2,6-diethyl-4-methylphenyl)-3-hydroxy-5-[2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]ethyl]cyclohex-2-en-1-one
CID 71109732
(2S)-2-[3-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 162667574

Frequently Asked Questions

What is the IUPAC name of [2-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]spiro[2.3]hexan-2-yl]methanamine?
The IUPAC name of [2-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]spiro[2.3]hexan-2-yl]methanamine (CID 166325528) is [2-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]spiro[2.3]hexan-2-yl]methanamine.
What is the SMILES notation for [2-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]spiro[2.3]hexan-2-yl]methanamine?
The canonical SMILES for [2-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]spiro[2.3]hexan-2-yl]methanamine is NCC1(Cn2cc(-c3ccc(C(F)(F)F)cc3)nn2)CC12CCC2.
What is the InChIKey of [2-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]spiro[2.3]hexan-2-yl]methanamine?
The InChIKey is YGXLUYAJWGUOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4/c18-17(19,20)13-4-2-12(3-5-13)14-8-24(23-22-14)11-16(10-21)9-15(16)6-1-7-15/h2-5,8H,1,6-7,9-11,21H2.
What are the key properties of [2-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]spiro[2.3]hexan-2-yl]methanamine?
[2-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]spiro[2.3]hexan-2-yl]methanamine has a molecular weight of 336.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]spiro[2.3]hexan-2-yl]methanamine is sourced from PubChem (CID 166325528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).