N-[(3-methyltriazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine

C12H13F3N4 — CID 115682218

IUPACN-[(3-methyltriazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCn1nncc1CNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F3N4/c1-19-11(8-17-18-19)7-16-6-9-2-4-10(5-3-9)12(13,14)15/h2-5,8,16H,6-7H2,1H3
InChIKeyHNGRYPNJRCKKRB-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.12
Rot. Bonds4

About N-[(3-methyltriazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine

N-[(3-methyltriazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 115682218) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is N-[(3-methyltriazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(3-methyltriazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID115682218
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC NameN-[(3-methyltriazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCn1nncc1CNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F3N4/c1-19-11(8-17-18-19)7-16-6-9-2-4-10(5-3-9)12(13,14)15/h2-5,8,16H,6-7H2,1H3
InChIKeyHNGRYPNJRCKKRB-UHFFFAOYSA-N
XLogP2.12
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-methyltriazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]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

1-(4-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]methanamine
CID 115682021
N-[(3-methyltriazol-4-yl)methyl]-1-phenylmethanamine
CID 115682087
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
N-[(2-chloro-3-methylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 126819952
N-[(3-propylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 66129988
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60702101
2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61166216
1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 115836029
3,3-dimethyl-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine
CID 115682257
1-[4-(trifluoromethyl)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]methanamine
CID 169111944
N-[(5-methyl-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 103864336
[1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105337598

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyltriazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[(3-methyltriazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (CID 115682218) is N-[(3-methyltriazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[(3-methyltriazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[(3-methyltriazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is Cn1nncc1CNCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(3-methyltriazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is HNGRYPNJRCKKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c1-19-11(8-17-18-19)7-16-6-9-2-4-10(5-3-9)12(13,14)15/h2-5,8,16H,6-7H2,1H3.
What are the key properties of N-[(3-methyltriazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
N-[(3-methyltriazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 270.26 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyltriazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 115682218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).