1-(3-methoxypyrazin-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

C12H16F3N3O — CID 104514813

IUPAC1-(3-methoxypyrazin-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOc1nccnc1C1(N)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H16F3N3O/c1-19-10-9(17-6-7-18-10)11(16)4-2-8(3-5-11)12(13,14)15/h6-8H,2-5,16H2,1H3
InChIKeyBDGJHDZVSSATKU-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.39
Rot. Bonds2

About 1-(3-methoxypyrazin-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

1-(3-methoxypyrazin-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 104514813) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID104514813
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name1-(3-methoxypyrazin-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOc1nccnc1C1(N)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H16F3N3O/c1-19-10-9(17-6-7-18-10)11(16)4-2-8(3-5-11)12(13,14)15/h6-8H,2-5,16H2,1H3
InChIKeyBDGJHDZVSSATKU-UHFFFAOYSA-N
XLogP2.39
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazine, 2-methoxy-3-(4-methylpentyl)-
CID 111647
Pyrazine, 2-methoxy-3-(2-methylpentyl)
CID 44327555
2-Methoxy-3-(2-methyloctyl)pyrazine
CID 44327973
2-Methoxy-3-(7-methyloctyl)pyrazine
CID 44327974
1-(3,5-Dimethoxypyrazin-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103312254
3,3,3-Trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine
CID 103312255
3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103312256
N-ethyl-3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine
CID 103312257
1-(3-Methoxypyrazin-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 104514610
1-(3-Methoxypyrazin-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 104514814
3,3,3-Trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-amine
CID 104515421
4,4,4-Trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine
CID 104515914

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 104514813) is 1-(3-methoxypyrazin-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is COc1nccnc1C1(N)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is BDGJHDZVSSATKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-19-10-9(17-6-7-18-10)11(16)4-2-8(3-5-11)12(13,14)15/h6-8H,2-5,16H2,1H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
1-(3-methoxypyrazin-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 275.27 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 104514813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).