1-(5,6-dimethylpyrazin-2-yl)butane-1,2,3,4-tetrol

C10H16N2O4 — CID 10176941

IUPAC1-(5,6-dimethylpyrazin-2-yl)butane-1,2,3,4-tetrol
SMILESCc1ncc(C(O)C(O)C(O)CO)nc1C
InChIInChI=1S/C10H16N2O4/c1-5-6(2)12-7(3-11-5)9(15)10(16)8(14)4-13/h3,8-10,13-16H,4H2,1-2H3
InChIKeySODTXIONAXHBSY-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.16
Rot. Bonds4

About 1-(5,6-dimethylpyrazin-2-yl)butane-1,2,3,4-tetrol

1-(5,6-dimethylpyrazin-2-yl)butane-1,2,3,4-tetrol (PubChem CID 10176941) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-(5,6-dimethylpyrazin-2-yl)butane-1,2,3,4-tetrol.

Molecular Properties

Compound Name1-(5,6-dimethylpyrazin-2-yl)butane-1,2,3,4-tetrol
PubChem CID10176941
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name1-(5,6-dimethylpyrazin-2-yl)butane-1,2,3,4-tetrol
SMILESCc1ncc(C(O)C(O)C(O)CO)nc1C
InChIInChI=1S/C10H16N2O4/c1-5-6(2)12-7(3-11-5)9(15)10(16)8(14)4-13/h3,8-10,13-16H,4H2,1-2H3
InChIKeySODTXIONAXHBSY-UHFFFAOYSA-N
XLogP-1.16
TPSA106.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylpyrazin-2-yl)butane-1,2,3,4-tetrol?
The IUPAC name of 1-(5,6-dimethylpyrazin-2-yl)butane-1,2,3,4-tetrol (CID 10176941) is 1-(5,6-dimethylpyrazin-2-yl)butane-1,2,3,4-tetrol.
What is the SMILES notation for 1-(5,6-dimethylpyrazin-2-yl)butane-1,2,3,4-tetrol?
The canonical SMILES for 1-(5,6-dimethylpyrazin-2-yl)butane-1,2,3,4-tetrol is Cc1ncc(C(O)C(O)C(O)CO)nc1C.
What is the InChIKey of 1-(5,6-dimethylpyrazin-2-yl)butane-1,2,3,4-tetrol?
The InChIKey is SODTXIONAXHBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-5-6(2)12-7(3-11-5)9(15)10(16)8(14)4-13/h3,8-10,13-16H,4H2,1-2H3.
What are the key properties of 1-(5,6-dimethylpyrazin-2-yl)butane-1,2,3,4-tetrol?
1-(5,6-dimethylpyrazin-2-yl)butane-1,2,3,4-tetrol has a molecular weight of 228.25 g/mol, XLogP of -1.16, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylpyrazin-2-yl)butane-1,2,3,4-tetrol is sourced from PubChem (CID 10176941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).