3,3-dimethyl-2-pyrazin-2-ylbutan-2-ol

C10H16N2O — CID 115401177

IUPAC3,3-dimethyl-2-pyrazin-2-ylbutan-2-ol
SMILESCC(C)(C)C(C)(O)c1cnccn1
InChIInChI=1S/C10H16N2O/c1-9(2,3)10(4,13)8-7-11-5-6-12-8/h5-7,13H,1-4H3
InChIKeyBCDVROSPHGHMCX-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.73
Rot. Bonds1

About 3,3-dimethyl-2-pyrazin-2-ylbutan-2-ol

3,3-dimethyl-2-pyrazin-2-ylbutan-2-ol (PubChem CID 115401177) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3,3-dimethyl-2-pyrazin-2-ylbutan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-2-pyrazin-2-ylbutan-2-ol
PubChem CID115401177
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3,3-dimethyl-2-pyrazin-2-ylbutan-2-ol
SMILESCC(C)(C)C(C)(O)c1cnccn1
InChIInChI=1S/C10H16N2O/c1-9(2,3)10(4,13)8-7-11-5-6-12-8/h5-7,13H,1-4H3
InChIKeyBCDVROSPHGHMCX-UHFFFAOYSA-N
XLogP1.73
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-pyrazin-2-ylbutan-2-ol?
The IUPAC name of 3,3-dimethyl-2-pyrazin-2-ylbutan-2-ol (CID 115401177) is 3,3-dimethyl-2-pyrazin-2-ylbutan-2-ol.
What is the SMILES notation for 3,3-dimethyl-2-pyrazin-2-ylbutan-2-ol?
The canonical SMILES for 3,3-dimethyl-2-pyrazin-2-ylbutan-2-ol is CC(C)(C)C(C)(O)c1cnccn1.
What is the InChIKey of 3,3-dimethyl-2-pyrazin-2-ylbutan-2-ol?
The InChIKey is BCDVROSPHGHMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-9(2,3)10(4,13)8-7-11-5-6-12-8/h5-7,13H,1-4H3.
What are the key properties of 3,3-dimethyl-2-pyrazin-2-ylbutan-2-ol?
3,3-dimethyl-2-pyrazin-2-ylbutan-2-ol has a molecular weight of 180.25 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-pyrazin-2-ylbutan-2-ol is sourced from PubChem (CID 115401177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).