(2S)-3-(5-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol

C10H16N2O3 — CID 130437033

IUPAC(2S)-3-(5-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol
SMILESCC(C)c1cnc(OC[C@@H](O)CO)cn1
InChIInChI=1S/C10H16N2O3/c1-7(2)9-3-12-10(4-11-9)15-6-8(14)5-13/h3-4,7-8,13-14H,5-6H2,1-2H3/t8-/m0/s1
InChIKeyTYDNGGWWGWHZRD-QMMMGPOBSA-N
MW212.25 g/mol
LogP0.33
Rot. Bonds5

About (2S)-3-(5-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol

(2S)-3-(5-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol (PubChem CID 130437033) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is (2S)-3-(5-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-(5-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol
PubChem CID130437033
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name(2S)-3-(5-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol
SMILESCC(C)c1cnc(OC[C@@H](O)CO)cn1
InChIInChI=1S/C10H16N2O3/c1-7(2)9-3-12-10(4-11-9)15-6-8(14)5-13/h3-4,7-8,13-14H,5-6H2,1-2H3/t8-/m0/s1
InChIKeyTYDNGGWWGWHZRD-QMMMGPOBSA-N
XLogP0.33
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(5-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol?
The IUPAC name of (2S)-3-(5-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol (CID 130437033) is (2S)-3-(5-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol.
What is the SMILES notation for (2S)-3-(5-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol?
The canonical SMILES for (2S)-3-(5-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol is CC(C)c1cnc(OC[C@@H](O)CO)cn1.
What is the InChIKey of (2S)-3-(5-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol?
The InChIKey is TYDNGGWWGWHZRD-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7(2)9-3-12-10(4-11-9)15-6-8(14)5-13/h3-4,7-8,13-14H,5-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-3-(5-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol?
(2S)-3-(5-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol has a molecular weight of 212.25 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(5-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol is sourced from PubChem (CID 130437033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).