3-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-2,2-dimethylpropanamide

C11H17N3O3 — CID 77249881

IUPAC3-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(Cc1cnc(C(O)CO)cn1)C(N)=O
InChIInChI=1S/C11H17N3O3/c1-11(2,10(12)17)3-7-4-14-8(5-13-7)9(16)6-15/h4-5,9,15-16H,3,6H2,1-2H3,(H2,12,17)
InChIKeyVIDYGUNRLNWNBR-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.44
Rot. Bonds5

About 3-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-2,2-dimethylpropanamide

3-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-2,2-dimethylpropanamide (PubChem CID 77249881) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-2,2-dimethylpropanamide
PubChem CID77249881
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name3-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(Cc1cnc(C(O)CO)cn1)C(N)=O
InChIInChI=1S/C11H17N3O3/c1-11(2,10(12)17)3-7-4-14-8(5-13-7)9(16)6-15/h4-5,9,15-16H,3,6H2,1-2H3,(H2,12,17)
InChIKeyVIDYGUNRLNWNBR-UHFFFAOYSA-N
XLogP-0.44
TPSA109.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-2,2-dimethylpropanamide (CID 77249881) is 3-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-2,2-dimethylpropanamide is CC(C)(Cc1cnc(C(O)CO)cn1)C(N)=O.
What is the InChIKey of 3-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-2,2-dimethylpropanamide?
The InChIKey is VIDYGUNRLNWNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-11(2,10(12)17)3-7-4-14-8(5-13-7)9(16)6-15/h4-5,9,15-16H,3,6H2,1-2H3,(H2,12,17).
What are the key properties of 3-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-2,2-dimethylpropanamide?
3-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-2,2-dimethylpropanamide has a molecular weight of 239.28 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 77249881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).