ethane;pyrazine;1H-pyridin-2-one

C11H15N3O — CID 145202004

IUPACethane;pyrazine;1H-pyridin-2-one
SMILESCC.O=c1cccc[nH]1.c1cnccn1
InChIInChI=1S/C5H5NO.C4H4N2.C2H6/c7-5-3-1-2-4-6-5;1-2-6-4-3-5-1;1-2/h1-4H,(H,6,7);1-4H;1-2H3
InChIKeyDPIVXHGJXZWGDD-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.88
Rot. Bonds

About ethane;pyrazine;1H-pyridin-2-one

ethane;pyrazine;1H-pyridin-2-one (PubChem CID 145202004) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is ethane;pyrazine;1H-pyridin-2-one.

Molecular Properties

Compound Nameethane;pyrazine;1H-pyridin-2-one
PubChem CID145202004
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Nameethane;pyrazine;1H-pyridin-2-one
SMILESCC.O=c1cccc[nH]1.c1cnccn1
InChIInChI=1S/C5H5NO.C4H4N2.C2H6/c7-5-3-1-2-4-6-5;1-2-6-4-3-5-1;1-2/h1-4H,(H,6,7);1-4H;1-2H3
InChIKeyDPIVXHGJXZWGDD-UHFFFAOYSA-N
XLogP1.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;pyrazine;1H-pyridin-2-one?
The IUPAC name of ethane;pyrazine;1H-pyridin-2-one (CID 145202004) is ethane;pyrazine;1H-pyridin-2-one.
What is the SMILES notation for ethane;pyrazine;1H-pyridin-2-one?
The canonical SMILES for ethane;pyrazine;1H-pyridin-2-one is CC.O=c1cccc[nH]1.c1cnccn1.
What is the InChIKey of ethane;pyrazine;1H-pyridin-2-one?
The InChIKey is DPIVXHGJXZWGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO.C4H4N2.C2H6/c7-5-3-1-2-4-6-5;1-2-6-4-3-5-1;1-2/h1-4H,(H,6,7);1-4H;1-2H3.
What are the key properties of ethane;pyrazine;1H-pyridin-2-one?
ethane;pyrazine;1H-pyridin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pyrazine;1H-pyridin-2-one is sourced from PubChem (CID 145202004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).