4,5-dimethyl-1H-pyridazin-6-one;ethane

C8H14N2O — CID 143463293

IUPAC4,5-dimethyl-1H-pyridazin-6-one;ethane
SMILESCC.Cc1cn[nH]c(=O)c1C
InChIInChI=1S/C6H8N2O.C2H6/c1-4-3-7-8-6(9)5(4)2;1-2/h3H,1-2H3,(H,8,9);1-2H3
InChIKeyTXCPESBBKBWWHU-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.41
Rot. Bonds

About 4,5-dimethyl-1H-pyridazin-6-one;ethane

4,5-dimethyl-1H-pyridazin-6-one;ethane (PubChem CID 143463293) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 4,5-dimethyl-1H-pyridazin-6-one;ethane.

Molecular Properties

Compound Name4,5-dimethyl-1H-pyridazin-6-one;ethane
PubChem CID143463293
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name4,5-dimethyl-1H-pyridazin-6-one;ethane
SMILESCC.Cc1cn[nH]c(=O)c1C
InChIInChI=1S/C6H8N2O.C2H6/c1-4-3-7-8-6(9)5(4)2;1-2/h3H,1-2H3,(H,8,9);1-2H3
InChIKeyTXCPESBBKBWWHU-UHFFFAOYSA-N
XLogP1.41
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1H-pyridazin-6-one;ethane?
The IUPAC name of 4,5-dimethyl-1H-pyridazin-6-one;ethane (CID 143463293) is 4,5-dimethyl-1H-pyridazin-6-one;ethane.
What is the SMILES notation for 4,5-dimethyl-1H-pyridazin-6-one;ethane?
The canonical SMILES for 4,5-dimethyl-1H-pyridazin-6-one;ethane is CC.Cc1cn[nH]c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-1H-pyridazin-6-one;ethane?
The InChIKey is TXCPESBBKBWWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.C2H6/c1-4-3-7-8-6(9)5(4)2;1-2/h3H,1-2H3,(H,8,9);1-2H3.
What are the key properties of 4,5-dimethyl-1H-pyridazin-6-one;ethane?
4,5-dimethyl-1H-pyridazin-6-one;ethane has a molecular weight of 154.21 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1H-pyridazin-6-one;ethane is sourced from PubChem (CID 143463293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).