N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(2H-triazol-4-yl)methanamine

C12H13F3N4 — CID 102754821

IUPACN-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(2H-triazol-4-yl)methanamine
SMILESCNC(c1cn[nH]n1)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C12H13F3N4/c1-7-5-8(12(13,14)15)3-4-9(7)11(16-2)10-6-17-19-18-10/h3-6,11,16H,1-2H3,(H,17,18,19)
InChIKeyIVKUFZZHPVZGLS-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.44
Rot. Bonds3

About N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(2H-triazol-4-yl)methanamine

N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(2H-triazol-4-yl)methanamine (PubChem CID 102754821) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(2H-triazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(2H-triazol-4-yl)methanamine
PubChem CID102754821
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC NameN-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(2H-triazol-4-yl)methanamine
SMILESCNC(c1cn[nH]n1)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C12H13F3N4/c1-7-5-8(12(13,14)15)3-4-9(7)11(16-2)10-6-17-19-18-10/h3-6,11,16H,1-2H3,(H,17,18,19)
InChIKeyIVKUFZZHPVZGLS-UHFFFAOYSA-N
XLogP2.44
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-methyl-4-(trifluoromethyl)phenyl]-(2H-triazol-4-yl)methyl]ethanamine
CID 102754825
1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754677
N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 102757503
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102757506
1-(4-fluorophenyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753402
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2H-triazol-4-yl)methanamine
CID 107289217
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102804693
1-(5-ethylthiophen-2-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758626
N-methyl-1-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)methanamine
CID 103131221
1-(3-chlorothiophen-2-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102757874
1-(5-iodothiophen-3-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758264
[[2-methyl-4-(trifluoromethyl)phenyl]-(1,2,5-thiadiazol-3-yl)methyl]hydrazine
CID 102760069

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(2H-triazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(2H-triazol-4-yl)methanamine (CID 102754821) is N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(2H-triazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(2H-triazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(2H-triazol-4-yl)methanamine is CNC(c1cn[nH]n1)c1ccc(C(F)(F)F)cc1C.
What is the InChIKey of N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(2H-triazol-4-yl)methanamine?
The InChIKey is IVKUFZZHPVZGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c1-7-5-8(12(13,14)15)3-4-9(7)11(16-2)10-6-17-19-18-10/h3-6,11,16H,1-2H3,(H,17,18,19).
What are the key properties of N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(2H-triazol-4-yl)methanamine?
N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(2H-triazol-4-yl)methanamine has a molecular weight of 270.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(2H-triazol-4-yl)methanamine is sourced from PubChem (CID 102754821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).