1-(3-methoxypyrazin-2-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine

C13H13F3N4O — CID 105178613

IUPAC1-(3-methoxypyrazin-2-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESCNC(c1ccc(C(F)(F)F)cn1)c1nccnc1OC
InChIInChI=1S/C13H13F3N4O/c1-17-10(11-12(21-2)19-6-5-18-11)9-4-3-8(7-20-9)13(14,15)16/h3-7,10,17H,1-2H3
InChIKeyQZJPWTJABDOZSB-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.21
Rot. Bonds4

About 1-(3-methoxypyrazin-2-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine

1-(3-methoxypyrazin-2-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine (PubChem CID 105178613) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
PubChem CID105178613
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name1-(3-methoxypyrazin-2-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESCNC(c1ccc(C(F)(F)F)cn1)c1nccnc1OC
InChIInChI=1S/C13H13F3N4O/c1-17-10(11-12(21-2)19-6-5-18-11)9-4-3-8(7-20-9)13(14,15)16/h3-7,10,17H,1-2H3
InChIKeyQZJPWTJABDOZSB-UHFFFAOYSA-N
XLogP2.21
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105087924
1-(3-methoxypyrazin-2-yl)-N-methyl-1-quinolin-2-ylmethanamine
CID 104515575
1-(2-fluorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105119403
1-(2-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105099537
[(4-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 105286222
1-(2-methoxy-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 105142640
2,2,2-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methylethanamine
CID 105032213
1-(2,3-dimethylphenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105140563
N-methyl-1-(5-methyl-3-pyridinyl)-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105173821
[(5-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 105329743
1-(2-ethylpyrazol-3-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105148286
[(2-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 105285707

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine (CID 105178613) is 1-(3-methoxypyrazin-2-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine is CNC(c1ccc(C(F)(F)F)cn1)c1nccnc1OC.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is QZJPWTJABDOZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-17-10(11-12(21-2)19-6-5-18-11)9-4-3-8(7-20-9)13(14,15)16/h3-7,10,17H,1-2H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
1-(3-methoxypyrazin-2-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine has a molecular weight of 298.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 105178613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).