3-amino-1-(3,5-dimethoxypyrazin-2-yl)cyclopentan-1-ol

C11H17N3O3 — CID 113404073

IUPAC3-amino-1-(3,5-dimethoxypyrazin-2-yl)cyclopentan-1-ol
SMILESCOc1cnc(C2(O)CCC(N)C2)c(OC)n1
InChIInChI=1S/C11H17N3O3/c1-16-8-6-13-9(10(14-8)17-2)11(15)4-3-7(12)5-11/h6-7,15H,3-5,12H2,1-2H3
InChIKeyISPYYVJBJGQNQK-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.19
Rot. Bonds3

About 3-amino-1-(3,5-dimethoxypyrazin-2-yl)cyclopentan-1-ol

3-amino-1-(3,5-dimethoxypyrazin-2-yl)cyclopentan-1-ol (PubChem CID 113404073) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-amino-1-(3,5-dimethoxypyrazin-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3,5-dimethoxypyrazin-2-yl)cyclopentan-1-ol
PubChem CID113404073
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-amino-1-(3,5-dimethoxypyrazin-2-yl)cyclopentan-1-ol
SMILESCOc1cnc(C2(O)CCC(N)C2)c(OC)n1
InChIInChI=1S/C11H17N3O3/c1-16-8-6-13-9(10(14-8)17-2)11(15)4-3-7(12)5-11/h6-7,15H,3-5,12H2,1-2H3
InChIKeyISPYYVJBJGQNQK-UHFFFAOYSA-N
XLogP0.19
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-Hydroxy-1-methylpropyl)-3-methoxypyrazine
CID 101731875
3-Amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)pentan-2-ol
CID 104516351
3-Fluoro-3-(3-methoxypyrazin-2-yl)cyclopentan-1-amine
CID 104516878
3-Amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)butan-2-ol
CID 113421686
6,6,6-Trifluoro-2-(3-methoxypyrazin-2-yl)hexan-2-ol
CID 113533962
2-(3,5-Dimethoxypyrazin-2-yl)-6,6,6-trifluorohexan-2-ol
CID 116535906
2-(3-Methoxypyrazin-2-yl)butan-2-ol
CID 169491574
2-Cyclobutyl-1-(3,5-dimethoxypyrazin-2-yl)ethanol
CID 103170218
5-Amino-2-(3,5-dimethoxypyrazin-2-yl)-1-methoxypentan-2-ol
CID 103391276
5-Amino-1-methoxy-2-(3-methoxypyrazin-2-yl)pentan-2-ol
CID 103391301
1-[Hydroxy-(3-methoxypyrazin-2-yl)methyl]cyclopentan-1-ol
CID 103448205
1-[(3,5-Dimethoxypyrazin-2-yl)-hydroxymethyl]cyclopentan-1-ol
CID 103448510

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,5-dimethoxypyrazin-2-yl)cyclopentan-1-ol?
The IUPAC name of 3-amino-1-(3,5-dimethoxypyrazin-2-yl)cyclopentan-1-ol (CID 113404073) is 3-amino-1-(3,5-dimethoxypyrazin-2-yl)cyclopentan-1-ol.
What is the SMILES notation for 3-amino-1-(3,5-dimethoxypyrazin-2-yl)cyclopentan-1-ol?
The canonical SMILES for 3-amino-1-(3,5-dimethoxypyrazin-2-yl)cyclopentan-1-ol is COc1cnc(C2(O)CCC(N)C2)c(OC)n1.
What is the InChIKey of 3-amino-1-(3,5-dimethoxypyrazin-2-yl)cyclopentan-1-ol?
The InChIKey is ISPYYVJBJGQNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-16-8-6-13-9(10(14-8)17-2)11(15)4-3-7(12)5-11/h6-7,15H,3-5,12H2,1-2H3.
What are the key properties of 3-amino-1-(3,5-dimethoxypyrazin-2-yl)cyclopentan-1-ol?
3-amino-1-(3,5-dimethoxypyrazin-2-yl)cyclopentan-1-ol has a molecular weight of 239.27 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,5-dimethoxypyrazin-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 113404073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).