(2S)-3-(5,6-dimethylpyrazin-2-yl)propane-1,2-diol

C9H14N2O2 — CID 71621132

IUPAC(2S)-3-(5,6-dimethylpyrazin-2-yl)propane-1,2-diol
SMILESCc1ncc(C[C@H](O)CO)nc1C
InChIInChI=1S/C9H14N2O2/c1-6-7(2)11-8(4-10-6)3-9(13)5-12/h4,9,12-13H,3,5H2,1-2H3/t9-/m0/s1
InChIKeyILWJPPQTSQDYCL-VIFPVBQESA-N
MW182.22 g/mol
LogP-0.01
Rot. Bonds3

About (2S)-3-(5,6-dimethylpyrazin-2-yl)propane-1,2-diol

(2S)-3-(5,6-dimethylpyrazin-2-yl)propane-1,2-diol (PubChem CID 71621132) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2S)-3-(5,6-dimethylpyrazin-2-yl)propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-(5,6-dimethylpyrazin-2-yl)propane-1,2-diol
PubChem CID71621132
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(2S)-3-(5,6-dimethylpyrazin-2-yl)propane-1,2-diol
SMILESCc1ncc(C[C@H](O)CO)nc1C
InChIInChI=1S/C9H14N2O2/c1-6-7(2)11-8(4-10-6)3-9(13)5-12/h4,9,12-13H,3,5H2,1-2H3/t9-/m0/s1
InChIKeyILWJPPQTSQDYCL-VIFPVBQESA-N
XLogP-0.01
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(5,6-dimethylpyrazin-2-yl)propane-1,2-diol?
The IUPAC name of (2S)-3-(5,6-dimethylpyrazin-2-yl)propane-1,2-diol (CID 71621132) is (2S)-3-(5,6-dimethylpyrazin-2-yl)propane-1,2-diol.
What is the SMILES notation for (2S)-3-(5,6-dimethylpyrazin-2-yl)propane-1,2-diol?
The canonical SMILES for (2S)-3-(5,6-dimethylpyrazin-2-yl)propane-1,2-diol is Cc1ncc(C[C@H](O)CO)nc1C.
What is the InChIKey of (2S)-3-(5,6-dimethylpyrazin-2-yl)propane-1,2-diol?
The InChIKey is ILWJPPQTSQDYCL-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-7(2)11-8(4-10-6)3-9(13)5-12/h4,9,12-13H,3,5H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-3-(5,6-dimethylpyrazin-2-yl)propane-1,2-diol?
(2S)-3-(5,6-dimethylpyrazin-2-yl)propane-1,2-diol has a molecular weight of 182.22 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(5,6-dimethylpyrazin-2-yl)propane-1,2-diol is sourced from PubChem (CID 71621132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).