4-(3-methoxypyrazin-2-yl)-2-propyloxan-4-ol

C13H20N2O3 — CID 113421447

IUPAC4-(3-methoxypyrazin-2-yl)-2-propyloxan-4-ol
SMILESCCCC1CC(O)(c2nccnc2OC)CCO1
InChIInChI=1S/C13H20N2O3/c1-3-4-10-9-13(16,5-8-18-10)11-12(17-2)15-7-6-14-11/h6-7,10,16H,3-5,8-9H2,1-2H3
InChIKeyHNCPPZOKHFQGRL-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.65
Rot. Bonds4

About 4-(3-methoxypyrazin-2-yl)-2-propyloxan-4-ol

4-(3-methoxypyrazin-2-yl)-2-propyloxan-4-ol (PubChem CID 113421447) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-(3-methoxypyrazin-2-yl)-2-propyloxan-4-ol.

Molecular Properties

Compound Name4-(3-methoxypyrazin-2-yl)-2-propyloxan-4-ol
PubChem CID113421447
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-(3-methoxypyrazin-2-yl)-2-propyloxan-4-ol
SMILESCCCC1CC(O)(c2nccnc2OC)CCO1
InChIInChI=1S/C13H20N2O3/c1-3-4-10-9-13(16,5-8-18-10)11-12(17-2)15-7-6-14-11/h6-7,10,16H,3-5,8-9H2,1-2H3
InChIKeyHNCPPZOKHFQGRL-UHFFFAOYSA-N
XLogP1.65
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyrazin-2-yl)-2-propyloxan-4-ol?
The IUPAC name of 4-(3-methoxypyrazin-2-yl)-2-propyloxan-4-ol (CID 113421447) is 4-(3-methoxypyrazin-2-yl)-2-propyloxan-4-ol.
What is the SMILES notation for 4-(3-methoxypyrazin-2-yl)-2-propyloxan-4-ol?
The canonical SMILES for 4-(3-methoxypyrazin-2-yl)-2-propyloxan-4-ol is CCCC1CC(O)(c2nccnc2OC)CCO1.
What is the InChIKey of 4-(3-methoxypyrazin-2-yl)-2-propyloxan-4-ol?
The InChIKey is HNCPPZOKHFQGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-4-10-9-13(16,5-8-18-10)11-12(17-2)15-7-6-14-11/h6-7,10,16H,3-5,8-9H2,1-2H3.
What are the key properties of 4-(3-methoxypyrazin-2-yl)-2-propyloxan-4-ol?
4-(3-methoxypyrazin-2-yl)-2-propyloxan-4-ol has a molecular weight of 252.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypyrazin-2-yl)-2-propyloxan-4-ol is sourced from PubChem (CID 113421447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).