(2R)-3-(6-ethylpyrazin-2-yl)oxypropane-1,2-diol

C9H14N2O3 — CID 135202827

IUPAC(2R)-3-(6-ethylpyrazin-2-yl)oxypropane-1,2-diol
SMILESCCc1cncc(OC[C@H](O)CO)n1
InChIInChI=1S/C9H14N2O3/c1-2-7-3-10-4-9(11-7)14-6-8(13)5-12/h3-4,8,12-13H,2,5-6H2,1H3/t8-/m1/s1
InChIKeyICTPZHXSHGWIDR-MRVPVSSYSA-N
MW198.22 g/mol
LogP-0.23
Rot. Bonds5

About (2R)-3-(6-ethylpyrazin-2-yl)oxypropane-1,2-diol

(2R)-3-(6-ethylpyrazin-2-yl)oxypropane-1,2-diol (PubChem CID 135202827) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is (2R)-3-(6-ethylpyrazin-2-yl)oxypropane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-(6-ethylpyrazin-2-yl)oxypropane-1,2-diol
PubChem CID135202827
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name(2R)-3-(6-ethylpyrazin-2-yl)oxypropane-1,2-diol
SMILESCCc1cncc(OC[C@H](O)CO)n1
InChIInChI=1S/C9H14N2O3/c1-2-7-3-10-4-9(11-7)14-6-8(13)5-12/h3-4,8,12-13H,2,5-6H2,1H3/t8-/m1/s1
InChIKeyICTPZHXSHGWIDR-MRVPVSSYSA-N
XLogP-0.23
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(6-ethylpyrazin-2-yl)oxypropane-1,2-diol?
The IUPAC name of (2R)-3-(6-ethylpyrazin-2-yl)oxypropane-1,2-diol (CID 135202827) is (2R)-3-(6-ethylpyrazin-2-yl)oxypropane-1,2-diol.
What is the SMILES notation for (2R)-3-(6-ethylpyrazin-2-yl)oxypropane-1,2-diol?
The canonical SMILES for (2R)-3-(6-ethylpyrazin-2-yl)oxypropane-1,2-diol is CCc1cncc(OC[C@H](O)CO)n1.
What is the InChIKey of (2R)-3-(6-ethylpyrazin-2-yl)oxypropane-1,2-diol?
The InChIKey is ICTPZHXSHGWIDR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-2-7-3-10-4-9(11-7)14-6-8(13)5-12/h3-4,8,12-13H,2,5-6H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-3-(6-ethylpyrazin-2-yl)oxypropane-1,2-diol?
(2R)-3-(6-ethylpyrazin-2-yl)oxypropane-1,2-diol has a molecular weight of 198.22 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(6-ethylpyrazin-2-yl)oxypropane-1,2-diol is sourced from PubChem (CID 135202827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).