(1-methoxycyclohexyl)-pyrazin-2-ylmethanone

C12H16N2O2 — CID 116748019

IUPAC(1-methoxycyclohexyl)-pyrazin-2-ylmethanone
SMILESCOC1(C(=O)c2cnccn2)CCCCC1
InChIInChI=1S/C12H16N2O2/c1-16-12(5-3-2-4-6-12)11(15)10-9-13-7-8-14-10/h7-9H,2-6H2,1H3
InChIKeyXFSPWZXRTRCTII-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.01
Rot. Bonds3

About (1-methoxycyclohexyl)-pyrazin-2-ylmethanone

(1-methoxycyclohexyl)-pyrazin-2-ylmethanone (PubChem CID 116748019) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (1-methoxycyclohexyl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(1-methoxycyclohexyl)-pyrazin-2-ylmethanone
PubChem CID116748019
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(1-methoxycyclohexyl)-pyrazin-2-ylmethanone
SMILESCOC1(C(=O)c2cnccn2)CCCCC1
InChIInChI=1S/C12H16N2O2/c1-16-12(5-3-2-4-6-12)11(15)10-9-13-7-8-14-10/h7-9H,2-6H2,1H3
InChIKeyXFSPWZXRTRCTII-UHFFFAOYSA-N
XLogP2.01
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methoxycycloheptyl)-(1-methylimidazol-2-yl)methanone
CID 116750447
(1-methoxycycloheptyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707746
(1-methoxycyclobutyl)-(4-methyl-3-pyridinyl)methanone
CID 116706976
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] pyrazine-2-carboxylate
CID 7985731
1-(1-methoxycycloheptyl)-2-pyridin-3-ylethanone
CID 116750546
(1-ethylimidazol-2-yl)-(1-methoxycyclopentyl)methanone
CID 104610250
(1-methoxycycloheptyl)-(5-methylthiophen-2-yl)methanone
CID 116750454
[1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanone
CID 79074446
2-cyclohexyl-2-methoxy-1-pyrazin-2-ylethanone
CID 116750925
cycloocten-1-yl-(1-methoxycyclohexyl)methanone
CID 106652256
cyclohepten-1-yl-(1-methoxycyclopentyl)methanone
CID 106652202
N-[1-(hydroxymethyl)cyclopentyl]pyrazine-2-carboxamide
CID 62519593

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclohexyl)-pyrazin-2-ylmethanone?
The IUPAC name of (1-methoxycyclohexyl)-pyrazin-2-ylmethanone (CID 116748019) is (1-methoxycyclohexyl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (1-methoxycyclohexyl)-pyrazin-2-ylmethanone?
The canonical SMILES for (1-methoxycyclohexyl)-pyrazin-2-ylmethanone is COC1(C(=O)c2cnccn2)CCCCC1.
What is the InChIKey of (1-methoxycyclohexyl)-pyrazin-2-ylmethanone?
The InChIKey is XFSPWZXRTRCTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-12(5-3-2-4-6-12)11(15)10-9-13-7-8-14-10/h7-9H,2-6H2,1H3.
What are the key properties of (1-methoxycyclohexyl)-pyrazin-2-ylmethanone?
(1-methoxycyclohexyl)-pyrazin-2-ylmethanone has a molecular weight of 220.27 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclohexyl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 116748019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).