2-ethyl-1-pyrazin-2-ylbutane-1,2-diol

C10H16N2O2 — CID 103449423

IUPAC2-ethyl-1-pyrazin-2-ylbutane-1,2-diol
SMILESCCC(O)(CC)C(O)c1cnccn1
InChIInChI=1S/C10H16N2O2/c1-3-10(14,4-2)9(13)8-7-11-5-6-12-8/h5-7,9,13-14H,3-4H2,1-2H3
InChIKeyVSNWHPPJCCDKAB-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.06
Rot. Bonds4

About 2-ethyl-1-pyrazin-2-ylbutane-1,2-diol

2-ethyl-1-pyrazin-2-ylbutane-1,2-diol (PubChem CID 103449423) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-ethyl-1-pyrazin-2-ylbutane-1,2-diol.

Molecular Properties

Compound Name2-ethyl-1-pyrazin-2-ylbutane-1,2-diol
PubChem CID103449423
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-ethyl-1-pyrazin-2-ylbutane-1,2-diol
SMILESCCC(O)(CC)C(O)c1cnccn1
InChIInChI=1S/C10H16N2O2/c1-3-10(14,4-2)9(13)8-7-11-5-6-12-8/h5-7,9,13-14H,3-4H2,1-2H3
InChIKeyVSNWHPPJCCDKAB-UHFFFAOYSA-N
XLogP1.06
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-pyrazin-2-ylbutane-1,2-diol?
The IUPAC name of 2-ethyl-1-pyrazin-2-ylbutane-1,2-diol (CID 103449423) is 2-ethyl-1-pyrazin-2-ylbutane-1,2-diol.
What is the SMILES notation for 2-ethyl-1-pyrazin-2-ylbutane-1,2-diol?
The canonical SMILES for 2-ethyl-1-pyrazin-2-ylbutane-1,2-diol is CCC(O)(CC)C(O)c1cnccn1.
What is the InChIKey of 2-ethyl-1-pyrazin-2-ylbutane-1,2-diol?
The InChIKey is VSNWHPPJCCDKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-10(14,4-2)9(13)8-7-11-5-6-12-8/h5-7,9,13-14H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-1-pyrazin-2-ylbutane-1,2-diol?
2-ethyl-1-pyrazin-2-ylbutane-1,2-diol has a molecular weight of 196.25 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-pyrazin-2-ylbutane-1,2-diol is sourced from PubChem (CID 103449423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).