[4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanamine

C11H11F3N4 — CID 129139605

IUPAC[4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanamine
SMILESCn1nc(C(F)(F)F)nc1-c1ccc(CN)cc1
InChIInChI=1S/C11H11F3N4/c1-18-9(16-10(17-18)11(12,13)14)8-4-2-7(6-15)3-5-8/h2-5H,6,15H2,1H3
InChIKeyJFZLFLIWJAYOCF-UHFFFAOYSA-N
MW256.23 g/mol
LogP1.96
Rot. Bonds2

About [4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanamine

[4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanamine (PubChem CID 129139605) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is [4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanamine
PubChem CID129139605
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name[4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanamine
SMILESCn1nc(C(F)(F)F)nc1-c1ccc(CN)cc1
InChIInChI=1S/C11H11F3N4/c1-18-9(16-10(17-18)11(12,13)14)8-4-2-7(6-15)3-5-8/h2-5H,6,15H2,1H3
InChIKeyJFZLFLIWJAYOCF-UHFFFAOYSA-N
XLogP1.96
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-methyl-5-(4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazole
CID 162440075
[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methanamine
CID 62696261
[4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methylcarbamic acid
CID 129139581
ethyl 4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzoate
CID 162378409
[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methanamine
CID 83875298
4-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)aniline
CID 62721082
[4-(1-methyltetrazol-5-yl)phenyl]methanamine
CID 82228462
[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 21090692
5-(4-ethylphenyl)-1-methyl-1,2,4-triazol-3-amine
CID 84670791
[2-methyl-3-(trifluoromethyl)indazol-6-yl]methanamine
CID 105486263
[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 19627300
2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine
CID 12774391

Frequently Asked Questions

What is the IUPAC name of [4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanamine?
The IUPAC name of [4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanamine (CID 129139605) is [4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanamine.
What is the SMILES notation for [4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanamine?
The canonical SMILES for [4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanamine is Cn1nc(C(F)(F)F)nc1-c1ccc(CN)cc1.
What is the InChIKey of [4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanamine?
The InChIKey is JFZLFLIWJAYOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4/c1-18-9(16-10(17-18)11(12,13)14)8-4-2-7(6-15)3-5-8/h2-5H,6,15H2,1H3.
What are the key properties of [4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanamine?
[4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanamine has a molecular weight of 256.23 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanamine is sourced from PubChem (CID 129139605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).