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

C9H14N2O3 — CID 103448870

IUPAC1-(3-methoxypyrazin-2-yl)-2-methylpropane-1,2-diol
SMILESCOc1nccnc1C(O)C(C)(C)O
InChIInChI=1S/C9H14N2O3/c1-9(2,13)7(12)6-8(14-3)11-5-4-10-6/h4-5,7,12-13H,1-3H3
InChIKeyFUZHNNAATAZBGO-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.29
Rot. Bonds3

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

1-(3-methoxypyrazin-2-yl)-2-methylpropane-1,2-diol (PubChem CID 103448870) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-2-methylpropane-1,2-diol
PubChem CID103448870
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-(3-methoxypyrazin-2-yl)-2-methylpropane-1,2-diol
SMILESCOc1nccnc1C(O)C(C)(C)O
InChIInChI=1S/C9H14N2O3/c1-9(2,13)7(12)6-8(14-3)11-5-4-10-6/h4-5,7,12-13H,1-3H3
InChIKeyFUZHNNAATAZBGO-UHFFFAOYSA-N
XLogP0.29
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.29
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
2-(3-Methoxy-5-methylpyrazin-2-yl)propan-2-ol
CID 44327596
2-(3-Methoxy-6-methylpyrazin-2-yl)propan-2-ol
CID 44327620
2-(1-Hydroxy-1-methylethyl)-3-methoxypyrazine
CID 91666000
3-(2,2-Difluoroethoxy)-1-(3-methoxypyrazin-2-yl)propan-1-ol
CID 103147900
1-(3,5-Dimethoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103217065
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-Methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103474004
1-(3,5-Dimethoxypyrazin-2-yl)-3,3,3-trifluoropropan-1-ol
CID 104368760

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-2-methylpropane-1,2-diol?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-2-methylpropane-1,2-diol (CID 103448870) is 1-(3-methoxypyrazin-2-yl)-2-methylpropane-1,2-diol.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-2-methylpropane-1,2-diol?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-2-methylpropane-1,2-diol is COc1nccnc1C(O)C(C)(C)O.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-2-methylpropane-1,2-diol?
The InChIKey is FUZHNNAATAZBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-9(2,13)7(12)6-8(14-3)11-5-4-10-6/h4-5,7,12-13H,1-3H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-2-methylpropane-1,2-diol?
1-(3-methoxypyrazin-2-yl)-2-methylpropane-1,2-diol has a molecular weight of 198.22 g/mol, XLogP of 0.29, 3 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-methylpropane-1,2-diol is sourced from PubChem (CID 103448870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).