1-(3-methoxypyrazin-2-yl)-2-methylbutane-1,2-diol

C10H16N2O3 — CID 103448529

IUPAC1-(3-methoxypyrazin-2-yl)-2-methylbutane-1,2-diol
SMILESCCC(C)(O)C(O)c1nccnc1OC
InChIInChI=1S/C10H16N2O3/c1-4-10(2,14)8(13)7-9(15-3)12-6-5-11-7/h5-6,8,13-14H,4H2,1-3H3
InChIKeyXTIFLMDPBPYYSJ-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.68
Rot. Bonds4

About 1-(3-methoxypyrazin-2-yl)-2-methylbutane-1,2-diol

1-(3-methoxypyrazin-2-yl)-2-methylbutane-1,2-diol (PubChem CID 103448529) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-2-methylbutane-1,2-diol.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-2-methylbutane-1,2-diol
PubChem CID103448529
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-(3-methoxypyrazin-2-yl)-2-methylbutane-1,2-diol
SMILESCCC(C)(O)C(O)c1nccnc1OC
InChIInChI=1S/C10H16N2O3/c1-4-10(2,14)8(13)7-9(15-3)12-6-5-11-7/h5-6,8,13-14H,4H2,1-3H3
InChIKeyXTIFLMDPBPYYSJ-UHFFFAOYSA-N
XLogP0.68
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-Hydroxy-2-methylpropyl)-3-methoxypyrazine
CID 587218
2-(1-Hydroxy-1-methylpropyl)-3-methoxypyrazine
CID 101731875
1-(5-Fluoro-3-methoxypyrazin-2-yl)hexan-1-ol
CID 11287622
1-(3-Methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103217071
1-(3,5-Dimethoxypyrazin-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312622
3,3,3-Trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-ol
CID 103312623
1-(3,5-Dimethoxypyrazin-2-yl)-4,4,4-trifluorobutan-1-ol
CID 104368857
3,3,3-Trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-ol
CID 104515084
4,4,4-Trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-ol
CID 104515198
3-Amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)pentan-2-ol
CID 104516351
(4,4-Difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanol
CID 105123424
(3-Methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanol
CID 105123908

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-2-methylbutane-1,2-diol?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-2-methylbutane-1,2-diol (CID 103448529) is 1-(3-methoxypyrazin-2-yl)-2-methylbutane-1,2-diol.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-2-methylbutane-1,2-diol?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-2-methylbutane-1,2-diol is CCC(C)(O)C(O)c1nccnc1OC.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-2-methylbutane-1,2-diol?
The InChIKey is XTIFLMDPBPYYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-10(2,14)8(13)7-9(15-3)12-6-5-11-7/h5-6,8,13-14H,4H2,1-3H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-2-methylbutane-1,2-diol?
1-(3-methoxypyrazin-2-yl)-2-methylbutane-1,2-diol has a molecular weight of 212.25 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)-2-methylbutane-1,2-diol is sourced from PubChem (CID 103448529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).