(2S)-2-(3-methoxypyrazin-2-yl)butan-2-ol

C9H14N2O2 — CID 169491574

IUPAC(2S)-2-(3-methoxypyrazin-2-yl)butan-2-ol
SMILESCC[C@](C)(O)c1nccnc1OC
InChIInChI=1S/C9H14N2O2/c1-4-9(2,12)7-8(13-3)11-6-5-10-7/h5-6,12H,4H2,1-3H3/t9-/m0/s1
InChIKeyCZGCZRKZCDYSBP-VIFPVBQESA-N
MW182.22 g/mol
LogP1.10
Rot. Bonds3

About (2S)-2-(3-methoxypyrazin-2-yl)butan-2-ol

(2S)-2-(3-methoxypyrazin-2-yl)butan-2-ol (PubChem CID 169491574) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2S)-2-(3-methoxypyrazin-2-yl)butan-2-ol.

Molecular Properties

Compound Name(2S)-2-(3-methoxypyrazin-2-yl)butan-2-ol
PubChem CID169491574
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(2S)-2-(3-methoxypyrazin-2-yl)butan-2-ol
SMILESCC[C@](C)(O)c1nccnc1OC
InChIInChI=1S/C9H14N2O2/c1-4-9(2,12)7-8(13-3)11-6-5-10-7/h5-6,12H,4H2,1-3H3/t9-/m0/s1
InChIKeyCZGCZRKZCDYSBP-VIFPVBQESA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Isobutyl-3-methoxypyrazine
CID 32594
2-Methoxy-3-(1-methylpropyl)pyrazine
CID 520098
2-Methoxy-3-propylpyrazine
CID 528308
2-Butyl-3-methoxypyrazine
CID 528313
3-(sec-Butyl)-2-methoxy-5-methylpyrazine
CID 15590167
5-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-ethylpentanenitrile
CID 528318
2-(1-Hydroxy-2-methylpropyl)-3-methoxypyrazine
CID 587218
3-Methoxy-2-(1-methylpropyl)-5-(2-methylpropyl)pyrazine
CID 11579454
2-Methoxy-3-pentan-2-ylpyrazine
CID 44327975
5-Butan-2-yl-3-methoxy-2-propan-2-yl-pyrazine
CID 11665628
2-(1-Hydroxy-1-methylpropyl)-3-methoxypyrazine
CID 101731875
2-sec-Butyl-5-isobutyl-3-methoxypyrazine
CID 169491474

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methoxypyrazin-2-yl)butan-2-ol?
The IUPAC name of (2S)-2-(3-methoxypyrazin-2-yl)butan-2-ol (CID 169491574) is (2S)-2-(3-methoxypyrazin-2-yl)butan-2-ol.
What is the SMILES notation for (2S)-2-(3-methoxypyrazin-2-yl)butan-2-ol?
The canonical SMILES for (2S)-2-(3-methoxypyrazin-2-yl)butan-2-ol is CC[C@](C)(O)c1nccnc1OC.
What is the InChIKey of (2S)-2-(3-methoxypyrazin-2-yl)butan-2-ol?
The InChIKey is CZGCZRKZCDYSBP-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-9(2,12)7-8(13-3)11-6-5-10-7/h5-6,12H,4H2,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-2-(3-methoxypyrazin-2-yl)butan-2-ol?
(2S)-2-(3-methoxypyrazin-2-yl)butan-2-ol has a molecular weight of 182.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methoxypyrazin-2-yl)butan-2-ol is sourced from PubChem (CID 169491574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).