N-methyl-1-pyrazin-2-yl-1-[3-(trifluoromethyl)cyclohexyl]methanamine

C13H18F3N3 — CID 105150057

IUPACN-methyl-1-pyrazin-2-yl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(c1cnccn1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H18F3N3/c1-17-12(11-8-18-5-6-19-11)9-3-2-4-10(7-9)13(14,15)16/h5-6,8-10,12,17H,2-4,7H2,1H3
InChIKeyABPWKXXKSRAMLS-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.11
Rot. Bonds3

About N-methyl-1-pyrazin-2-yl-1-[3-(trifluoromethyl)cyclohexyl]methanamine

N-methyl-1-pyrazin-2-yl-1-[3-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105150057) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-methyl-1-pyrazin-2-yl-1-[3-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-pyrazin-2-yl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105150057
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC NameN-methyl-1-pyrazin-2-yl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(c1cnccn1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H18F3N3/c1-17-12(11-8-18-5-6-19-11)9-3-2-4-10(7-9)13(14,15)16/h5-6,8-10,12,17H,2-4,7H2,1H3
InChIKeyABPWKXXKSRAMLS-UHFFFAOYSA-N
XLogP3.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyrazin-2-yl-1-[3-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-pyrazin-2-yl-1-[3-(trifluoromethyl)cyclohexyl]methanamine (CID 105150057) is N-methyl-1-pyrazin-2-yl-1-[3-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-pyrazin-2-yl-1-[3-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-pyrazin-2-yl-1-[3-(trifluoromethyl)cyclohexyl]methanamine is CNC(c1cnccn1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-methyl-1-pyrazin-2-yl-1-[3-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is ABPWKXXKSRAMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-17-12(11-8-18-5-6-19-11)9-3-2-4-10(7-9)13(14,15)16/h5-6,8-10,12,17H,2-4,7H2,1H3.
What are the key properties of N-methyl-1-pyrazin-2-yl-1-[3-(trifluoromethyl)cyclohexyl]methanamine?
N-methyl-1-pyrazin-2-yl-1-[3-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 273.30 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyrazin-2-yl-1-[3-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105150057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).