5-chloro-4-methyl-1H-pyridazin-6-one;ethane

C7H11ClN2O — CID 143900026

IUPAC5-chloro-4-methyl-1H-pyridazin-6-one;ethane
SMILESCC.Cc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C5H5ClN2O.C2H6/c1-3-2-7-8-5(9)4(3)6;1-2/h2H,1H3,(H,8,9);1-2H3
InChIKeyFABWDBXCVNHLQU-UHFFFAOYSA-N
MW174.63 g/mol
LogP1.76
Rot. Bonds

About 5-chloro-4-methyl-1H-pyridazin-6-one;ethane

5-chloro-4-methyl-1H-pyridazin-6-one;ethane (PubChem CID 143900026) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 5-chloro-4-methyl-1H-pyridazin-6-one;ethane.

Molecular Properties

Compound Name5-chloro-4-methyl-1H-pyridazin-6-one;ethane
PubChem CID143900026
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name5-chloro-4-methyl-1H-pyridazin-6-one;ethane
SMILESCC.Cc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C5H5ClN2O.C2H6/c1-3-2-7-8-5(9)4(3)6;1-2/h2H,1H3,(H,8,9);1-2H3
InChIKeyFABWDBXCVNHLQU-UHFFFAOYSA-N
XLogP1.76
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-1H-pyridazin-6-one;ethane?
The IUPAC name of 5-chloro-4-methyl-1H-pyridazin-6-one;ethane (CID 143900026) is 5-chloro-4-methyl-1H-pyridazin-6-one;ethane.
What is the SMILES notation for 5-chloro-4-methyl-1H-pyridazin-6-one;ethane?
The canonical SMILES for 5-chloro-4-methyl-1H-pyridazin-6-one;ethane is CC.Cc1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-methyl-1H-pyridazin-6-one;ethane?
The InChIKey is FABWDBXCVNHLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O.C2H6/c1-3-2-7-8-5(9)4(3)6;1-2/h2H,1H3,(H,8,9);1-2H3.
What are the key properties of 5-chloro-4-methyl-1H-pyridazin-6-one;ethane?
5-chloro-4-methyl-1H-pyridazin-6-one;ethane has a molecular weight of 174.63 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-1H-pyridazin-6-one;ethane is sourced from PubChem (CID 143900026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).