ethane;2-methyl-1,6-dihydropyridazin-3-one

C9H20N2O — CID 177189521

IUPACethane;2-methyl-1,6-dihydropyridazin-3-one
SMILESCC.CC.CN1NCC=CC1=O
InChIInChI=1S/C5H8N2O.2C2H6/c1-7-5(8)3-2-4-6-7;2*1-2/h2-3,6H,4H2,1H3;2*1-2H3
InChIKeyMBSIEUFZIKEMES-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.57
Rot. Bonds

About ethane;2-methyl-1,6-dihydropyridazin-3-one

ethane;2-methyl-1,6-dihydropyridazin-3-one (PubChem CID 177189521) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is ethane;2-methyl-1,6-dihydropyridazin-3-one.

Molecular Properties

Compound Nameethane;2-methyl-1,6-dihydropyridazin-3-one
PubChem CID177189521
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Nameethane;2-methyl-1,6-dihydropyridazin-3-one
SMILESCC.CC.CN1NCC=CC1=O
InChIInChI=1S/C5H8N2O.2C2H6/c1-7-5(8)3-2-4-6-7;2*1-2/h2-3,6H,4H2,1H3;2*1-2H3
InChIKeyMBSIEUFZIKEMES-UHFFFAOYSA-N
XLogP1.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1,6-dihydropyridazin-3-one?
The IUPAC name of ethane;2-methyl-1,6-dihydropyridazin-3-one (CID 177189521) is ethane;2-methyl-1,6-dihydropyridazin-3-one.
What is the SMILES notation for ethane;2-methyl-1,6-dihydropyridazin-3-one?
The canonical SMILES for ethane;2-methyl-1,6-dihydropyridazin-3-one is CC.CC.CN1NCC=CC1=O.
What is the InChIKey of ethane;2-methyl-1,6-dihydropyridazin-3-one?
The InChIKey is MBSIEUFZIKEMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.2C2H6/c1-7-5(8)3-2-4-6-7;2*1-2/h2-3,6H,4H2,1H3;2*1-2H3.
What are the key properties of ethane;2-methyl-1,6-dihydropyridazin-3-one?
ethane;2-methyl-1,6-dihydropyridazin-3-one has a molecular weight of 172.27 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1,6-dihydropyridazin-3-one is sourced from PubChem (CID 177189521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).