bis(5-methylbenzene-1,3-diol);pyrazine

C18H20N2O4 — CID 139147343

IUPACbis(5-methylbenzene-1,3-diol);pyrazine
SMILESCc1cc(O)cc(O)c1.Cc1cc(O)cc(O)c1.c1cnccn1
InChIInChI=1S/2C7H8O2.C4H4N2/c2*1-5-2-6(8)4-7(9)3-5;1-2-6-4-3-5-1/h2*2-4,8-9H,1H3;1-4H
InChIKeyGVLYUIKUCYRMQY-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.29
Rot. Bonds

About bis(5-methylbenzene-1,3-diol);pyrazine

bis(5-methylbenzene-1,3-diol);pyrazine (PubChem CID 139147343) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is bis(5-methylbenzene-1,3-diol);pyrazine.

Molecular Properties

Compound Namebis(5-methylbenzene-1,3-diol);pyrazine
PubChem CID139147343
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Namebis(5-methylbenzene-1,3-diol);pyrazine
SMILESCc1cc(O)cc(O)c1.Cc1cc(O)cc(O)c1.c1cnccn1
InChIInChI=1S/2C7H8O2.C4H4N2/c2*1-5-2-6(8)4-7(9)3-5;1-2-6-4-3-5-1/h2*2-4,8-9H,1H3;1-4H
InChIKeyGVLYUIKUCYRMQY-UHFFFAOYSA-N
XLogP3.29
TPSA106.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(5-methylbenzene-1,3-diol);pyrazine?
The IUPAC name of bis(5-methylbenzene-1,3-diol);pyrazine (CID 139147343) is bis(5-methylbenzene-1,3-diol);pyrazine.
What is the SMILES notation for bis(5-methylbenzene-1,3-diol);pyrazine?
The canonical SMILES for bis(5-methylbenzene-1,3-diol);pyrazine is Cc1cc(O)cc(O)c1.Cc1cc(O)cc(O)c1.c1cnccn1.
What is the InChIKey of bis(5-methylbenzene-1,3-diol);pyrazine?
The InChIKey is GVLYUIKUCYRMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8O2.C4H4N2/c2*1-5-2-6(8)4-7(9)3-5;1-2-6-4-3-5-1/h2*2-4,8-9H,1H3;1-4H.
What are the key properties of bis(5-methylbenzene-1,3-diol);pyrazine?
bis(5-methylbenzene-1,3-diol);pyrazine has a molecular weight of 328.37 g/mol, XLogP of 3.29, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-methylbenzene-1,3-diol);pyrazine is sourced from PubChem (CID 139147343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).