5-chloro-2,4-dimethylpyridazin-3-one

C6H7ClN2O — CID 19081413

IUPAC5-chloro-2,4-dimethylpyridazin-3-one
SMILESCc1c(Cl)cnn(C)c1=O
InChIInChI=1S/C6H7ClN2O/c1-4-5(7)3-8-9(2)6(4)10/h3H,1-2H3
InChIKeyQILXPAMWVDORGK-UHFFFAOYSA-N
MW158.59 g/mol
LogP0.74
Rot. Bonds

About 5-chloro-2,4-dimethylpyridazin-3-one

5-chloro-2,4-dimethylpyridazin-3-one (PubChem CID 19081413) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 5-chloro-2,4-dimethylpyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2,4-dimethylpyridazin-3-one
PubChem CID19081413
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name5-chloro-2,4-dimethylpyridazin-3-one
SMILESCc1c(Cl)cnn(C)c1=O
InChIInChI=1S/C6H7ClN2O/c1-4-5(7)3-8-9(2)6(4)10/h3H,1-2H3
InChIKeyQILXPAMWVDORGK-UHFFFAOYSA-N
XLogP0.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-dimethylpyridazin-3-one?
The IUPAC name of 5-chloro-2,4-dimethylpyridazin-3-one (CID 19081413) is 5-chloro-2,4-dimethylpyridazin-3-one.
What is the SMILES notation for 5-chloro-2,4-dimethylpyridazin-3-one?
The canonical SMILES for 5-chloro-2,4-dimethylpyridazin-3-one is Cc1c(Cl)cnn(C)c1=O.
What is the InChIKey of 5-chloro-2,4-dimethylpyridazin-3-one?
The InChIKey is QILXPAMWVDORGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-4-5(7)3-8-9(2)6(4)10/h3H,1-2H3.
What are the key properties of 5-chloro-2,4-dimethylpyridazin-3-one?
5-chloro-2,4-dimethylpyridazin-3-one has a molecular weight of 158.59 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-dimethylpyridazin-3-one is sourced from PubChem (CID 19081413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).