N-methyl-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine

C12H15F3N4 — CID 107380967

IUPACN-methyl-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine
SMILESCNCc1cnc(N2CC=C(C(F)(F)F)CC2)cn1
InChIInChI=1S/C12H15F3N4/c1-16-6-10-7-18-11(8-17-10)19-4-2-9(3-5-19)12(13,14)15/h2,7-8,16H,3-6H2,1H3
InChIKeyVDFKGCNCICLAAO-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.89
Rot. Bonds3

About N-methyl-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine

N-methyl-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine (PubChem CID 107380967) has the molecular formula C12H15F3N4 and a molecular weight of 272.27 g/mol. Its IUPAC name is N-methyl-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine
PubChem CID107380967
Molecular FormulaC12H15F3N4
Molecular Weight272.27 g/mol
Exact Mass272.12
IUPAC NameN-methyl-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine
SMILESCNCc1cnc(N2CC=C(C(F)(F)F)CC2)cn1
InChIInChI=1S/C12H15F3N4/c1-16-6-10-7-18-11(8-17-10)19-4-2-9(3-5-19)12(13,14)15/h2,7-8,16H,3-6H2,1H3
InChIKeyVDFKGCNCICLAAO-UHFFFAOYSA-N
XLogP1.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine (CID 107380967) is N-methyl-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine is CNCc1cnc(N2CC=C(C(F)(F)F)CC2)cn1.
What is the InChIKey of N-methyl-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine?
The InChIKey is VDFKGCNCICLAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4/c1-16-6-10-7-18-11(8-17-10)19-4-2-9(3-5-19)12(13,14)15/h2,7-8,16H,3-6H2,1H3.
What are the key properties of N-methyl-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine?
N-methyl-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine has a molecular weight of 272.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine is sourced from PubChem (CID 107380967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).