N-methyl-1-[4-pyrazin-2-yl-2-(trifluoromethyl)cyclohexyl]methanamine

C13H18F3N3 — CID 162605509

IUPACN-methyl-1-[4-pyrazin-2-yl-2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNCC1CCC(c2cnccn2)CC1C(F)(F)F
InChIInChI=1S/C13H18F3N3/c1-17-7-10-3-2-9(6-11(10)13(14,15)16)12-8-18-4-5-19-12/h4-5,8-11,17H,2-3,6-7H2,1H3
InChIKeyILALQHICANUPAY-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.76
Rot. Bonds3

About N-methyl-1-[4-pyrazin-2-yl-2-(trifluoromethyl)cyclohexyl]methanamine

N-methyl-1-[4-pyrazin-2-yl-2-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 162605509) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-methyl-1-[4-pyrazin-2-yl-2-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-pyrazin-2-yl-2-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID162605509
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC NameN-methyl-1-[4-pyrazin-2-yl-2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNCC1CCC(c2cnccn2)CC1C(F)(F)F
InChIInChI=1S/C13H18F3N3/c1-17-7-10-3-2-9(6-11(10)13(14,15)16)12-8-18-4-5-19-12/h4-5,8-11,17H,2-3,6-7H2,1H3
InChIKeyILALQHICANUPAY-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-pyrazin-2-yl-2-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[4-pyrazin-2-yl-2-(trifluoromethyl)cyclohexyl]methanamine (CID 162605509) is N-methyl-1-[4-pyrazin-2-yl-2-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-pyrazin-2-yl-2-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[4-pyrazin-2-yl-2-(trifluoromethyl)cyclohexyl]methanamine is CNCC1CCC(c2cnccn2)CC1C(F)(F)F.
What is the InChIKey of N-methyl-1-[4-pyrazin-2-yl-2-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is ILALQHICANUPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-17-7-10-3-2-9(6-11(10)13(14,15)16)12-8-18-4-5-19-12/h4-5,8-11,17H,2-3,6-7H2,1H3.
What are the key properties of N-methyl-1-[4-pyrazin-2-yl-2-(trifluoromethyl)cyclohexyl]methanamine?
N-methyl-1-[4-pyrazin-2-yl-2-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 273.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-pyrazin-2-yl-2-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 162605509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).