ethane;6H-pyrido[3,4-b]pyrazin-5-one

C11H17N3O — CID 91605958

IUPACethane;6H-pyrido[3,4-b]pyrazin-5-one
SMILESCC.CC.O=c1[nH]ccc2nccnc12
InChIInChI=1S/C7H5N3O.2C2H6/c11-7-6-5(1-2-10-7)8-3-4-9-6;2*1-2/h1-4H,(H,10,11);2*1-2H3
InChIKeyRLJFAZPZCPRTTJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.37
Rot. Bonds

About ethane;6H-pyrido[3,4-b]pyrazin-5-one

ethane;6H-pyrido[3,4-b]pyrazin-5-one (PubChem CID 91605958) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is ethane;6H-pyrido[3,4-b]pyrazin-5-one.

Molecular Properties

Compound Nameethane;6H-pyrido[3,4-b]pyrazin-5-one
PubChem CID91605958
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Nameethane;6H-pyrido[3,4-b]pyrazin-5-one
SMILESCC.CC.O=c1[nH]ccc2nccnc12
InChIInChI=1S/C7H5N3O.2C2H6/c11-7-6-5(1-2-10-7)8-3-4-9-6;2*1-2/h1-4H,(H,10,11);2*1-2H3
InChIKeyRLJFAZPZCPRTTJ-UHFFFAOYSA-N
XLogP2.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;6H-pyrido[3,4-b]pyrazin-5-one?
The IUPAC name of ethane;6H-pyrido[3,4-b]pyrazin-5-one (CID 91605958) is ethane;6H-pyrido[3,4-b]pyrazin-5-one.
What is the SMILES notation for ethane;6H-pyrido[3,4-b]pyrazin-5-one?
The canonical SMILES for ethane;6H-pyrido[3,4-b]pyrazin-5-one is CC.CC.O=c1[nH]ccc2nccnc12.
What is the InChIKey of ethane;6H-pyrido[3,4-b]pyrazin-5-one?
The InChIKey is RLJFAZPZCPRTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O.2C2H6/c11-7-6-5(1-2-10-7)8-3-4-9-6;2*1-2/h1-4H,(H,10,11);2*1-2H3.
What are the key properties of ethane;6H-pyrido[3,4-b]pyrazin-5-one?
ethane;6H-pyrido[3,4-b]pyrazin-5-one has a molecular weight of 207.28 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6H-pyrido[3,4-b]pyrazin-5-one is sourced from PubChem (CID 91605958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).