4,5-dichloro-2-(cyclopropylmethyl)pyridazin-3-one

C8H8Cl2N2O — CID 19881234

IUPAC4,5-dichloro-2-(cyclopropylmethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CC1CC1
InChIInChI=1S/C8H8Cl2N2O/c9-6-3-11-12(4-5-1-2-5)8(13)7(6)10/h3,5H,1-2,4H2
InChIKeyWSCDWDUUWQDAOE-UHFFFAOYSA-N
MW219.07 g/mol
LogP1.96
Rot. Bonds2

About 4,5-dichloro-2-(cyclopropylmethyl)pyridazin-3-one

4,5-dichloro-2-(cyclopropylmethyl)pyridazin-3-one (PubChem CID 19881234) has the molecular formula C8H8Cl2N2O and a molecular weight of 219.07 g/mol. Its IUPAC name is 4,5-dichloro-2-(cyclopropylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(cyclopropylmethyl)pyridazin-3-one
PubChem CID19881234
Molecular FormulaC8H8Cl2N2O
Molecular Weight219.07 g/mol
Exact Mass218.00
IUPAC Name4,5-dichloro-2-(cyclopropylmethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CC1CC1
InChIInChI=1S/C8H8Cl2N2O/c9-6-3-11-12(4-5-1-2-5)8(13)7(6)10/h3,5H,1-2,4H2
InChIKeyWSCDWDUUWQDAOE-UHFFFAOYSA-N
XLogP1.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(cyclopropylmethyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(cyclopropylmethyl)pyridazin-3-one (CID 19881234) is 4,5-dichloro-2-(cyclopropylmethyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(cyclopropylmethyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(cyclopropylmethyl)pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1CC1CC1.
What is the InChIKey of 4,5-dichloro-2-(cyclopropylmethyl)pyridazin-3-one?
The InChIKey is WSCDWDUUWQDAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O/c9-6-3-11-12(4-5-1-2-5)8(13)7(6)10/h3,5H,1-2,4H2.
What are the key properties of 4,5-dichloro-2-(cyclopropylmethyl)pyridazin-3-one?
4,5-dichloro-2-(cyclopropylmethyl)pyridazin-3-one has a molecular weight of 219.07 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(cyclopropylmethyl)pyridazin-3-one is sourced from PubChem (CID 19881234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).