1-[(3,5-dimethoxypyrazin-2-yl)-hydroxymethyl]cyclopentan-1-ol

C12H18N2O4 — CID 103448510

IUPAC1-[(3,5-dimethoxypyrazin-2-yl)-hydroxymethyl]cyclopentan-1-ol
SMILESCOc1cnc(C(O)C2(O)CCCC2)c(OC)n1
InChIInChI=1S/C12H18N2O4/c1-17-8-7-13-9(11(14-8)18-2)10(15)12(16)5-3-4-6-12/h7,10,15-16H,3-6H2,1-2H3
InChIKeyWGCQKNYGWUWWGE-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.83
Rot. Bonds4

About 1-[(3,5-dimethoxypyrazin-2-yl)-hydroxymethyl]cyclopentan-1-ol

1-[(3,5-dimethoxypyrazin-2-yl)-hydroxymethyl]cyclopentan-1-ol (PubChem CID 103448510) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-[(3,5-dimethoxypyrazin-2-yl)-hydroxymethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(3,5-dimethoxypyrazin-2-yl)-hydroxymethyl]cyclopentan-1-ol
PubChem CID103448510
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name1-[(3,5-dimethoxypyrazin-2-yl)-hydroxymethyl]cyclopentan-1-ol
SMILESCOc1cnc(C(O)C2(O)CCCC2)c(OC)n1
InChIInChI=1S/C12H18N2O4/c1-17-8-7-13-9(11(14-8)18-2)10(15)12(16)5-3-4-6-12/h7,10,15-16H,3-6H2,1-2H3
InChIKeyWGCQKNYGWUWWGE-UHFFFAOYSA-N
XLogP0.83
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-Hydroxy-2-methylpropyl)-3-methoxypyrazine
CID 587218
1-(5-Fluoro-3-methoxypyrazin-2-yl)hexan-1-ol
CID 11287622
(4,4-Difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanol
CID 105123424
(4,4-Difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol
CID 105123934
(3-Methoxypyrazin-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105123937
6,6,6-Trifluoro-2-(3-methoxypyrazin-2-yl)hexan-2-ol
CID 113533962
(3,3-Difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol
CID 114215738
2-(3,5-Dimethoxypyrazin-2-yl)-6,6,6-trifluorohexan-2-ol
CID 116535906
1-(3-Methoxypyrazin-2-yl)-2-methylpropan-1-ol
CID 169492673
1-(5-Chloro-3-methoxypyrazin-2-yl)hexan-1-ol
CID 11276621
1-(3-Methoxypyrazin-2-yl)hexan-1-ol
CID 15880596
3-Methoxy-1-(3-methoxypyrazin-2-yl)-3-methylbutan-1-ol
CID 103027678

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxypyrazin-2-yl)-hydroxymethyl]cyclopentan-1-ol?
The IUPAC name of 1-[(3,5-dimethoxypyrazin-2-yl)-hydroxymethyl]cyclopentan-1-ol (CID 103448510) is 1-[(3,5-dimethoxypyrazin-2-yl)-hydroxymethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(3,5-dimethoxypyrazin-2-yl)-hydroxymethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(3,5-dimethoxypyrazin-2-yl)-hydroxymethyl]cyclopentan-1-ol is COc1cnc(C(O)C2(O)CCCC2)c(OC)n1.
What is the InChIKey of 1-[(3,5-dimethoxypyrazin-2-yl)-hydroxymethyl]cyclopentan-1-ol?
The InChIKey is WGCQKNYGWUWWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-17-8-7-13-9(11(14-8)18-2)10(15)12(16)5-3-4-6-12/h7,10,15-16H,3-6H2,1-2H3.
What are the key properties of 1-[(3,5-dimethoxypyrazin-2-yl)-hydroxymethyl]cyclopentan-1-ol?
1-[(3,5-dimethoxypyrazin-2-yl)-hydroxymethyl]cyclopentan-1-ol has a molecular weight of 254.29 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxypyrazin-2-yl)-hydroxymethyl]cyclopentan-1-ol is sourced from PubChem (CID 103448510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).