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

C8H12N2O2 — CID 70028967

IUPAC[3-(hydroxymethyl)-5,6-dimethylpyrazin-2-yl]methanol
SMILESCc1nc(CO)c(CO)nc1C
InChIInChI=1S/C8H12N2O2/c1-5-6(2)10-8(4-12)7(3-11)9-5/h11-12H,3-4H2,1-2H3
InChIKeyLMITUYPXBKVUHM-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.08
Rot. Bonds2

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

[3-(hydroxymethyl)-5,6-dimethylpyrazin-2-yl]methanol (PubChem CID 70028967) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is [3-(hydroxymethyl)-5,6-dimethylpyrazin-2-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-5,6-dimethylpyrazin-2-yl]methanol
PubChem CID70028967
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name[3-(hydroxymethyl)-5,6-dimethylpyrazin-2-yl]methanol
SMILESCc1nc(CO)c(CO)nc1C
InChIInChI=1S/C8H12N2O2/c1-5-6(2)10-8(4-12)7(3-11)9-5/h11-12H,3-4H2,1-2H3
InChIKeyLMITUYPXBKVUHM-UHFFFAOYSA-N
XLogP0.08
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-5,6-dimethylpyrazin-2-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)-5,6-dimethylpyrazin-2-yl]methanol (CID 70028967) is [3-(hydroxymethyl)-5,6-dimethylpyrazin-2-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-5,6-dimethylpyrazin-2-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-5,6-dimethylpyrazin-2-yl]methanol is Cc1nc(CO)c(CO)nc1C.
What is the InChIKey of [3-(hydroxymethyl)-5,6-dimethylpyrazin-2-yl]methanol?
The InChIKey is LMITUYPXBKVUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5-6(2)10-8(4-12)7(3-11)9-5/h11-12H,3-4H2,1-2H3.
What are the key properties of [3-(hydroxymethyl)-5,6-dimethylpyrazin-2-yl]methanol?
[3-(hydroxymethyl)-5,6-dimethylpyrazin-2-yl]methanol has a molecular weight of 168.20 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-5,6-dimethylpyrazin-2-yl]methanol is sourced from PubChem (CID 70028967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).