2-(3,6-dimethylpyrazin-2-yl)propan-2-ol

C9H14N2O — CID 19787232

IUPAC2-(3,6-dimethylpyrazin-2-yl)propan-2-ol
SMILESCc1cnc(C)c(C(C)(C)O)n1
InChIInChI=1S/C9H14N2O/c1-6-5-10-7(2)8(11-6)9(3,4)12/h5,12H,1-4H3
InChIKeyWDTSXMBSXYTLLZ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.32
Rot. Bonds1

About 2-(3,6-dimethylpyrazin-2-yl)propan-2-ol

2-(3,6-dimethylpyrazin-2-yl)propan-2-ol (PubChem CID 19787232) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(3,6-dimethylpyrazin-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3,6-dimethylpyrazin-2-yl)propan-2-ol
PubChem CID19787232
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-(3,6-dimethylpyrazin-2-yl)propan-2-ol
SMILESCc1cnc(C)c(C(C)(C)O)n1
InChIInChI=1S/C9H14N2O/c1-6-5-10-7(2)8(11-6)9(3,4)12/h5,12H,1-4H3
InChIKeyWDTSXMBSXYTLLZ-UHFFFAOYSA-N
XLogP1.32
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-ol
CID 19787226
2,5-dimethylpyrazine;2,3,5-trimethylpyrazine
CID 69044023
acetic acid;2,3,5-trimethylpyrazine
CID 159251290
3-(4-tert-butylpiperazin-1-yl)-2,5-dimethylpyrazine
CID 59776855
2-(3,6-dimethylpyrazin-2-yl)sulfanyl-2-methylpropan-1-ol
CID 130668327
3-tert-butyl-6-methylpyrazin-2-amine
CID 121309179
5-bromo-3-tert-butyl-2-methylpyrazine
CID 118016282
3-bromo-2-tert-butyl-5-methylpyrazine
CID 153298447
1-[(3,6-dimethylpyrazin-2-yl)amino]-2-phenylpropan-2-ol
CID 133471206
2-(5-bromo-3-chloro-4-methyl-2-pyridinyl)propan-2-ol
CID 71114982
1-[(3,6-dimethylpyrazin-2-yl)amino]-4,4-dimethylpentan-2-ol
CID 104695495
(3,5-dimethylpyrazin-2-yl)methanol
CID 71467096

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethylpyrazin-2-yl)propan-2-ol?
The IUPAC name of 2-(3,6-dimethylpyrazin-2-yl)propan-2-ol (CID 19787232) is 2-(3,6-dimethylpyrazin-2-yl)propan-2-ol.
What is the SMILES notation for 2-(3,6-dimethylpyrazin-2-yl)propan-2-ol?
The canonical SMILES for 2-(3,6-dimethylpyrazin-2-yl)propan-2-ol is Cc1cnc(C)c(C(C)(C)O)n1.
What is the InChIKey of 2-(3,6-dimethylpyrazin-2-yl)propan-2-ol?
The InChIKey is WDTSXMBSXYTLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6-5-10-7(2)8(11-6)9(3,4)12/h5,12H,1-4H3.
What are the key properties of 2-(3,6-dimethylpyrazin-2-yl)propan-2-ol?
2-(3,6-dimethylpyrazin-2-yl)propan-2-ol has a molecular weight of 166.22 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethylpyrazin-2-yl)propan-2-ol is sourced from PubChem (CID 19787232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).