N-methyl-1-[1-(4,4,4-trifluorobutyl)triazol-4-yl]methanamine

C8H13F3N4 — CID 115519644

IUPACN-methyl-1-[1-(4,4,4-trifluorobutyl)triazol-4-yl]methanamine
SMILESCNCc1cn(CCCC(F)(F)F)nn1
InChIInChI=1S/C8H13F3N4/c1-12-5-7-6-15(14-13-7)4-2-3-8(9,10)11/h6,12H,2-5H2,1H3
InChIKeyLXRKZIWKYJGFFQ-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.34
Rot. Bonds5

About N-methyl-1-[1-(4,4,4-trifluorobutyl)triazol-4-yl]methanamine

N-methyl-1-[1-(4,4,4-trifluorobutyl)triazol-4-yl]methanamine (PubChem CID 115519644) has the molecular formula C8H13F3N4 and a molecular weight of 222.21 g/mol. Its IUPAC name is N-methyl-1-[1-(4,4,4-trifluorobutyl)triazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(4,4,4-trifluorobutyl)triazol-4-yl]methanamine
PubChem CID115519644
Molecular FormulaC8H13F3N4
Molecular Weight222.21 g/mol
Exact Mass222.11
IUPAC NameN-methyl-1-[1-(4,4,4-trifluorobutyl)triazol-4-yl]methanamine
SMILESCNCc1cn(CCCC(F)(F)F)nn1
InChIInChI=1S/C8H13F3N4/c1-12-5-7-6-15(14-13-7)4-2-3-8(9,10)11/h6,12H,2-5H2,1H3
InChIKeyLXRKZIWKYJGFFQ-UHFFFAOYSA-N
XLogP1.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-1-(4,4,4-trifluorobutyl)triazole
CID 115518156
N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methanamine
CID 66192704
N-methyl-1-[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine
CID 62967065
2-methyl-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66191690
N-methyl-1-[1-(3-methylsulfonylpropyl)triazol-4-yl]methanamine
CID 66216457
N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66193569
7-[4-(methylaminomethyl)triazol-1-yl]heptan-2-one
CID 142439684
N-[[1-[2-(4,4,4-trifluorobutoxy)ethyl]triazol-4-yl]methyl]ethanamine
CID 82792791
3-[4-(methylaminomethyl)triazol-1-yl]propylurea
CID 156794759
1-[1-[3-(4-fluorophenoxy)propyl]triazol-4-yl]-N-methylmethanamine
CID 66216655
N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
CID 62438466
2-methoxy-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]ethanamine
CID 66204200

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4,4,4-trifluorobutyl)triazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(4,4,4-trifluorobutyl)triazol-4-yl]methanamine (CID 115519644) is N-methyl-1-[1-(4,4,4-trifluorobutyl)triazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(4,4,4-trifluorobutyl)triazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(4,4,4-trifluorobutyl)triazol-4-yl]methanamine is CNCc1cn(CCCC(F)(F)F)nn1.
What is the InChIKey of N-methyl-1-[1-(4,4,4-trifluorobutyl)triazol-4-yl]methanamine?
The InChIKey is LXRKZIWKYJGFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4/c1-12-5-7-6-15(14-13-7)4-2-3-8(9,10)11/h6,12H,2-5H2,1H3.
What are the key properties of N-methyl-1-[1-(4,4,4-trifluorobutyl)triazol-4-yl]methanamine?
N-methyl-1-[1-(4,4,4-trifluorobutyl)triazol-4-yl]methanamine has a molecular weight of 222.21 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(4,4,4-trifluorobutyl)triazol-4-yl]methanamine is sourced from PubChem (CID 115519644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).