(1S)-1-[6-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]ethane-1,2-diol

C8H12N2O4 — CID 18712843

IUPAC(1S)-1-[6-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]ethane-1,2-diol
SMILESOC[C@@H](O)c1cncc([C@H](O)CO)n1
InChIInChI=1S/C8H12N2O4/c11-3-7(13)5-1-9-2-6(10-5)8(14)4-12/h1-2,7-8,11-14H,3-4H2/t7-,8-/m1/s1
InChIKeyXHBKWWIFYARGMR-HTQZYQBOSA-N
MW200.19 g/mol
LogP-1.47
Rot. Bonds4

About (1S)-1-[6-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]ethane-1,2-diol

(1S)-1-[6-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]ethane-1,2-diol (PubChem CID 18712843) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is (1S)-1-[6-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-[6-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]ethane-1,2-diol
PubChem CID18712843
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name(1S)-1-[6-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]ethane-1,2-diol
SMILESOC[C@@H](O)c1cncc([C@H](O)CO)n1
InChIInChI=1S/C8H12N2O4/c11-3-7(13)5-1-9-2-6(10-5)8(14)4-12/h1-2,7-8,11-14H,3-4H2/t7-,8-/m1/s1
InChIKeyXHBKWWIFYARGMR-HTQZYQBOSA-N
XLogP-1.47
TPSA106.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]ethane-1,2-diol?
The IUPAC name of (1S)-1-[6-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]ethane-1,2-diol (CID 18712843) is (1S)-1-[6-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1S)-1-[6-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]ethane-1,2-diol?
The canonical SMILES for (1S)-1-[6-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]ethane-1,2-diol is OC[C@@H](O)c1cncc([C@H](O)CO)n1.
What is the InChIKey of (1S)-1-[6-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]ethane-1,2-diol?
The InChIKey is XHBKWWIFYARGMR-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H12N2O4/c11-3-7(13)5-1-9-2-6(10-5)8(14)4-12/h1-2,7-8,11-14H,3-4H2/t7-,8-/m1/s1.
What are the key properties of (1S)-1-[6-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]ethane-1,2-diol?
(1S)-1-[6-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]ethane-1,2-diol has a molecular weight of 200.19 g/mol, XLogP of -1.47, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]ethane-1,2-diol is sourced from PubChem (CID 18712843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).