N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]ethanamine

C6H9F3N4 — CID 123415296

IUPACN-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]ethanamine
SMILESCNCCn1cnnc1C(F)(F)F
InChIInChI=1S/C6H9F3N4/c1-10-2-3-13-4-11-12-5(13)6(7,8)9/h4,10H,2-3H2,1H3
InChIKeyBQUVUMXVBXUEFF-UHFFFAOYSA-N
MW194.16 g/mol
LogP0.52
Rot. Bonds3

About N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]ethanamine

N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]ethanamine (PubChem CID 123415296) has the molecular formula C6H9F3N4 and a molecular weight of 194.16 g/mol. Its IUPAC name is N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]ethanamine
PubChem CID123415296
Molecular FormulaC6H9F3N4
Molecular Weight194.16 g/mol
Exact Mass194.08
IUPAC NameN-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]ethanamine
SMILESCNCCn1cnnc1C(F)(F)F
InChIInChI=1S/C6H9F3N4/c1-10-2-3-13-4-11-12-5(13)6(7,8)9/h4,10H,2-3H2,1H3
InChIKeyBQUVUMXVBXUEFF-UHFFFAOYSA-N
XLogP0.52
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-4H-1,2,4-triazol-3-yl)methanamine
CID 21744036
methyl(((4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)methyl))amine
CID 16763501
methyl[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]amine
CID 23005312
(4-ethyl-4H-1,2,4-triazol-3-yl)methanamine
CID 24695936
1-(4-ethyl-4H-1,2,4-triazol-3-yl)-N-methylmethanamine
CID 28064104
1-(4-Isopropyl-4H-1,2,4-triazol-3-yl)ethan-1-amine
CID 16763504
methyl[(1-methyl-1H-1,2,4-triazol-5-yl)methyl]amine
CID 56828625
1-(4-propyl-4H-1,2,4-triazol-3-yl)methanamine
CID 28063951
((1-(2,2-difluoroethyl)-1H-1,2,4-triazol-5-yl)methyl)(methyl)amine
CID 65649099
N-methyl-1-(4-propyl-4H-1,2,4-triazol-3-yl)methanamine
CID 16763505
3,3,3-trifluoro-N-methyl-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 129623993
[4-Propyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methanamine
CID 112593739

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]ethanamine?
The IUPAC name of N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]ethanamine (CID 123415296) is N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]ethanamine is CNCCn1cnnc1C(F)(F)F.
What is the InChIKey of N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]ethanamine?
The InChIKey is BQUVUMXVBXUEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4/c1-10-2-3-13-4-11-12-5(13)6(7,8)9/h4,10H,2-3H2,1H3.
What are the key properties of N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]ethanamine?
N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]ethanamine has a molecular weight of 194.16 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]ethanamine is sourced from PubChem (CID 123415296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).