(1S)-1-(3-methoxypyrazin-2-yl)-2-methylpropan-1-ol

C9H14N2O2 — CID 169492673

IUPAC(1S)-1-(3-methoxypyrazin-2-yl)-2-methylpropan-1-ol
SMILESCOc1nccnc1[C@@H](O)C(C)C
InChIInChI=1S/C9H14N2O2/c1-6(2)8(12)7-9(13-3)11-5-4-10-7/h4-6,8,12H,1-3H3/t8-/m0/s1
InChIKeyRZXMLQNGLFUMLB-QMMMGPOBSA-N
MW182.22 g/mol
LogP1.17
Rot. Bonds3

About (1S)-1-(3-methoxypyrazin-2-yl)-2-methylpropan-1-ol

(1S)-1-(3-methoxypyrazin-2-yl)-2-methylpropan-1-ol (PubChem CID 169492673) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (1S)-1-(3-methoxypyrazin-2-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-(3-methoxypyrazin-2-yl)-2-methylpropan-1-ol
PubChem CID169492673
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(1S)-1-(3-methoxypyrazin-2-yl)-2-methylpropan-1-ol
SMILESCOc1nccnc1[C@@H](O)C(C)C
InChIInChI=1S/C9H14N2O2/c1-6(2)8(12)7-9(13-3)11-5-4-10-7/h4-6,8,12H,1-3H3/t8-/m0/s1
InChIKeyRZXMLQNGLFUMLB-QMMMGPOBSA-N
XLogP1.17
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-methoxypyrazin-2-yl)-2-methylpropan-1-ol?
The IUPAC name of (1S)-1-(3-methoxypyrazin-2-yl)-2-methylpropan-1-ol (CID 169492673) is (1S)-1-(3-methoxypyrazin-2-yl)-2-methylpropan-1-ol.
What is the SMILES notation for (1S)-1-(3-methoxypyrazin-2-yl)-2-methylpropan-1-ol?
The canonical SMILES for (1S)-1-(3-methoxypyrazin-2-yl)-2-methylpropan-1-ol is COc1nccnc1[C@@H](O)C(C)C.
What is the InChIKey of (1S)-1-(3-methoxypyrazin-2-yl)-2-methylpropan-1-ol?
The InChIKey is RZXMLQNGLFUMLB-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(2)8(12)7-9(13-3)11-5-4-10-7/h4-6,8,12H,1-3H3/t8-/m0/s1.
What are the key properties of (1S)-1-(3-methoxypyrazin-2-yl)-2-methylpropan-1-ol?
(1S)-1-(3-methoxypyrazin-2-yl)-2-methylpropan-1-ol has a molecular weight of 182.22 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-methoxypyrazin-2-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 169492673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).