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

C10H16N2O3 — CID 171975348

IUPAC(2S,3S)-4-(5,6-dimethylpyrazin-2-yl)butane-1,2,3-triol
SMILESCc1ncc(C[C@H](O)[C@@H](O)CO)nc1C
InChIInChI=1S/C10H16N2O3/c1-6-7(2)12-8(4-11-6)3-9(14)10(15)5-13/h4,9-10,13-15H,3,5H2,1-2H3/t9-,10-/m0/s1
InChIKeyVGDHNFVGKBXHQC-UWVGGRQHSA-N
MW212.25 g/mol
LogP-0.65
Rot. Bonds4

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

(2S,3S)-4-(5,6-dimethylpyrazin-2-yl)butane-1,2,3-triol (PubChem CID 171975348) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is (2S,3S)-4-(5,6-dimethylpyrazin-2-yl)butane-1,2,3-triol.

Molecular Properties

Compound Name(2S,3S)-4-(5,6-dimethylpyrazin-2-yl)butane-1,2,3-triol
PubChem CID171975348
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name(2S,3S)-4-(5,6-dimethylpyrazin-2-yl)butane-1,2,3-triol
SMILESCc1ncc(C[C@H](O)[C@@H](O)CO)nc1C
InChIInChI=1S/C10H16N2O3/c1-6-7(2)12-8(4-11-6)3-9(14)10(15)5-13/h4,9-10,13-15H,3,5H2,1-2H3/t9-,10-/m0/s1
InChIKeyVGDHNFVGKBXHQC-UWVGGRQHSA-N
XLogP-0.65
TPSA86.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4-(5,6-dimethylpyrazin-2-yl)butane-1,2,3-triol?
The IUPAC name of (2S,3S)-4-(5,6-dimethylpyrazin-2-yl)butane-1,2,3-triol (CID 171975348) is (2S,3S)-4-(5,6-dimethylpyrazin-2-yl)butane-1,2,3-triol.
What is the SMILES notation for (2S,3S)-4-(5,6-dimethylpyrazin-2-yl)butane-1,2,3-triol?
The canonical SMILES for (2S,3S)-4-(5,6-dimethylpyrazin-2-yl)butane-1,2,3-triol is Cc1ncc(C[C@H](O)[C@@H](O)CO)nc1C.
What is the InChIKey of (2S,3S)-4-(5,6-dimethylpyrazin-2-yl)butane-1,2,3-triol?
The InChIKey is VGDHNFVGKBXHQC-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-6-7(2)12-8(4-11-6)3-9(14)10(15)5-13/h4,9-10,13-15H,3,5H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (2S,3S)-4-(5,6-dimethylpyrazin-2-yl)butane-1,2,3-triol?
(2S,3S)-4-(5,6-dimethylpyrazin-2-yl)butane-1,2,3-triol has a molecular weight of 212.25 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4-(5,6-dimethylpyrazin-2-yl)butane-1,2,3-triol is sourced from PubChem (CID 171975348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).