2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol

C12H18N2O3 — CID 115830716

IUPAC2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol
SMILESCOc1cnc(C(O)C(C)C2CC2)c(OC)n1
InChIInChI=1S/C12H18N2O3/c1-7(8-4-5-8)11(15)10-12(17-3)14-9(16-2)6-13-10/h6-8,11,15H,4-5H2,1-3H3
InChIKeyINORKNAAZFGIHD-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.57
Rot. Bonds5

About 2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol

2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol (PubChem CID 115830716) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol
PubChem CID115830716
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol
SMILESCOc1cnc(C(O)C(C)C2CC2)c(OC)n1
InChIInChI=1S/C12H18N2O3/c1-7(8-4-5-8)11(15)10-12(17-3)14-9(16-2)6-13-10/h6-8,11,15H,4-5H2,1-3H3
InChIKeyINORKNAAZFGIHD-UHFFFAOYSA-N
XLogP1.57
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)-N-ethylpropan-1-amine
CID 105031029
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-3-methylbutan-1-ol
CID 116711920
1-(3,5-dimethoxypyrazin-2-yl)-2,3,3-trimethylbutan-1-ol
CID 114270663
(3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanol
CID 105123492
1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxypropan-1-ol
CID 113404113
1-(3,5-dimethoxypyrazin-2-yl)-3-ethylpentane-1,2-diol
CID 103459914
1-(3,5-dimethoxypyrazin-2-yl)-2-methylpropan-1-amine
CID 105031303
(3,5-dimethoxypyrazin-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol
CID 107502705
(3,5-dimethoxypyrazin-2-yl)-(1-methyltriazol-4-yl)methanol
CID 112735965
(3,5-dimethoxypyrazin-2-yl)-(1,4-dioxan-2-yl)methanol
CID 115830736
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxypropan-1-amine
CID 105178309
(3,5-dimethoxypyrazin-2-yl)-(5-fluoro-3-pyridinyl)methanol
CID 105123520

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol?
The IUPAC name of 2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol (CID 115830716) is 2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol is COc1cnc(C(O)C(C)C2CC2)c(OC)n1.
What is the InChIKey of 2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol?
The InChIKey is INORKNAAZFGIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7(8-4-5-8)11(15)10-12(17-3)14-9(16-2)6-13-10/h6-8,11,15H,4-5H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol?
2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol has a molecular weight of 238.29 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol is sourced from PubChem (CID 115830716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).