N-methyl-1-[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine

C12H21F3N6 — CID 62967065

IUPACN-methyl-1-[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine
SMILESCNCc1cn(CCN2CCN(CC(F)(F)F)CC2)nn1
InChIInChI=1S/C12H21F3N6/c1-16-8-11-9-21(18-17-11)7-6-19-2-4-20(5-3-19)10-12(13,14)15/h9,16H,2-8,10H2,1H3
InChIKeyLCOXHSFHSIIFFP-UHFFFAOYSA-N
MW306.34 g/mol
LogP0.18
Rot. Bonds6

About N-methyl-1-[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine

N-methyl-1-[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine (PubChem CID 62967065) has the molecular formula C12H21F3N6 and a molecular weight of 306.34 g/mol. Its IUPAC name is N-methyl-1-[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine
PubChem CID62967065
Molecular FormulaC12H21F3N6
Molecular Weight306.34 g/mol
Exact Mass306.18
IUPAC NameN-methyl-1-[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine
SMILESCNCc1cn(CCN2CCN(CC(F)(F)F)CC2)nn1
InChIInChI=1S/C12H21F3N6/c1-16-8-11-9-21(18-17-11)7-6-19-2-4-20(5-3-19)10-12(13,14)15/h9,16H,2-8,10H2,1H3
InChIKeyLCOXHSFHSIIFFP-UHFFFAOYSA-N
XLogP0.18
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine (CID 62967065) is N-methyl-1-[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine is CNCc1cn(CCN2CCN(CC(F)(F)F)CC2)nn1.
What is the InChIKey of N-methyl-1-[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine?
The InChIKey is LCOXHSFHSIIFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N6/c1-16-8-11-9-21(18-17-11)7-6-19-2-4-20(5-3-19)10-12(13,14)15/h9,16H,2-8,10H2,1H3.
What are the key properties of N-methyl-1-[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine?
N-methyl-1-[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine has a molecular weight of 306.34 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 62967065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).