[5,6-bis(hydroxymethyl)-3-methylpyrazin-2-yl]methanol

C8H12N2O3 — CID 45099901

IUPAC[5,6-bis(hydroxymethyl)-3-methylpyrazin-2-yl]methanol
SMILESCc1nc(CO)c(CO)nc1CO
InChIInChI=1S/C8H12N2O3/c1-5-6(2-11)10-8(4-13)7(3-12)9-5/h11-13H,2-4H2,1H3
InChIKeyDQDHRPDJECIUBF-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.74
Rot. Bonds3

About [5,6-bis(hydroxymethyl)-3-methylpyrazin-2-yl]methanol

[5,6-bis(hydroxymethyl)-3-methylpyrazin-2-yl]methanol (PubChem CID 45099901) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is [5,6-bis(hydroxymethyl)-3-methylpyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5,6-bis(hydroxymethyl)-3-methylpyrazin-2-yl]methanol
PubChem CID45099901
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name[5,6-bis(hydroxymethyl)-3-methylpyrazin-2-yl]methanol
SMILESCc1nc(CO)c(CO)nc1CO
InChIInChI=1S/C8H12N2O3/c1-5-6(2-11)10-8(4-13)7(3-12)9-5/h11-13H,2-4H2,1H3
InChIKeyDQDHRPDJECIUBF-UHFFFAOYSA-N
XLogP-0.74
TPSA86.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5,6-bis(hydroxymethyl)-3-methylpyrazin-2-yl]methanol?
The IUPAC name of [5,6-bis(hydroxymethyl)-3-methylpyrazin-2-yl]methanol (CID 45099901) is [5,6-bis(hydroxymethyl)-3-methylpyrazin-2-yl]methanol.
What is the SMILES notation for [5,6-bis(hydroxymethyl)-3-methylpyrazin-2-yl]methanol?
The canonical SMILES for [5,6-bis(hydroxymethyl)-3-methylpyrazin-2-yl]methanol is Cc1nc(CO)c(CO)nc1CO.
What is the InChIKey of [5,6-bis(hydroxymethyl)-3-methylpyrazin-2-yl]methanol?
The InChIKey is DQDHRPDJECIUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5-6(2-11)10-8(4-13)7(3-12)9-5/h11-13H,2-4H2,1H3.
What are the key properties of [5,6-bis(hydroxymethyl)-3-methylpyrazin-2-yl]methanol?
[5,6-bis(hydroxymethyl)-3-methylpyrazin-2-yl]methanol has a molecular weight of 184.19 g/mol, XLogP of -0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-bis(hydroxymethyl)-3-methylpyrazin-2-yl]methanol is sourced from PubChem (CID 45099901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).