1-(3-methoxypyrazin-2-yl)-3-propan-2-ylcyclobutan-1-ol

C12H18N2O2 — CID 103564328

IUPAC1-(3-methoxypyrazin-2-yl)-3-propan-2-ylcyclobutan-1-ol
SMILESCOc1nccnc1C1(O)CC(C(C)C)C1
InChIInChI=1S/C12H18N2O2/c1-8(2)9-6-12(15,7-9)10-11(16-3)14-5-4-13-10/h4-5,8-9,15H,6-7H2,1-3H3
InChIKeyBBJSQZBLKQSNRN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.74
Rot. Bonds3

About 1-(3-methoxypyrazin-2-yl)-3-propan-2-ylcyclobutan-1-ol

1-(3-methoxypyrazin-2-yl)-3-propan-2-ylcyclobutan-1-ol (PubChem CID 103564328) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-3-propan-2-ylcyclobutan-1-ol.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-3-propan-2-ylcyclobutan-1-ol
PubChem CID103564328
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(3-methoxypyrazin-2-yl)-3-propan-2-ylcyclobutan-1-ol
SMILESCOc1nccnc1C1(O)CC(C(C)C)C1
InChIInChI=1S/C12H18N2O2/c1-8(2)9-6-12(15,7-9)10-11(16-3)14-5-4-13-10/h4-5,8-9,15H,6-7H2,1-3H3
InChIKeyBBJSQZBLKQSNRN-UHFFFAOYSA-N
XLogP1.74
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-3-propan-2-ylcyclobutan-1-ol?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-3-propan-2-ylcyclobutan-1-ol (CID 103564328) is 1-(3-methoxypyrazin-2-yl)-3-propan-2-ylcyclobutan-1-ol.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-3-propan-2-ylcyclobutan-1-ol?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-3-propan-2-ylcyclobutan-1-ol is COc1nccnc1C1(O)CC(C(C)C)C1.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-3-propan-2-ylcyclobutan-1-ol?
The InChIKey is BBJSQZBLKQSNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)9-6-12(15,7-9)10-11(16-3)14-5-4-13-10/h4-5,8-9,15H,6-7H2,1-3H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-3-propan-2-ylcyclobutan-1-ol?
1-(3-methoxypyrazin-2-yl)-3-propan-2-ylcyclobutan-1-ol has a molecular weight of 222.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)-3-propan-2-ylcyclobutan-1-ol is sourced from PubChem (CID 103564328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).