4-chloro-2-(cyclopropylmethyl)pyridazin-3-one

C8H9ClN2O — CID 178099289

IUPAC4-chloro-2-(cyclopropylmethyl)pyridazin-3-one
SMILESO=c1c(Cl)ccnn1CC1CC1
InChIInChI=1S/C8H9ClN2O/c9-7-3-4-10-11(8(7)12)5-6-1-2-6/h3-4,6H,1-2,5H2
InChIKeyJOADSQBNDIICMU-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.31
Rot. Bonds2

About 4-chloro-2-(cyclopropylmethyl)pyridazin-3-one

4-chloro-2-(cyclopropylmethyl)pyridazin-3-one (PubChem CID 178099289) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 4-chloro-2-(cyclopropylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(cyclopropylmethyl)pyridazin-3-one
PubChem CID178099289
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name4-chloro-2-(cyclopropylmethyl)pyridazin-3-one
SMILESO=c1c(Cl)ccnn1CC1CC1
InChIInChI=1S/C8H9ClN2O/c9-7-3-4-10-11(8(7)12)5-6-1-2-6/h3-4,6H,1-2,5H2
InChIKeyJOADSQBNDIICMU-UHFFFAOYSA-N
XLogP1.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethyl)pyridazin-3-one
CID 72682825
5-bromo-1-(cyclopropylmethyl)pyrazole
CID 84776026
2-(cyclopropylmethyl)-N-propan-2-ylpyrazol-3-amine
CID 115921793
5-chloro-2-(cyclopropylmethyl)-4-(oxan-4-ylmethylamino)pyridazin-3-one
CID 114437978
7-amino-2-(cyclopropylmethyl)phthalazin-1-one
CID 71570454
2-(cyclopropylmethyl)pyrazole-3-carbonitrile
CID 84649157
5-chloro-2-(cyclopropylmethyl)-4-(2-hydroxyethylamino)pyridazin-3-one
CID 114432695
4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114444067
5-chloro-2-(cyclopropylmethyl)-4-(dicyclopropylmethylamino)pyridazin-3-one
CID 114435680
2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethanamine
CID 84652253
4-[(4-aminocyclohexyl)amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114446204
5-chloro-2-(cyclopropylmethyl)-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridazin-3-one
CID 107851419

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclopropylmethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-2-(cyclopropylmethyl)pyridazin-3-one (CID 178099289) is 4-chloro-2-(cyclopropylmethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(cyclopropylmethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(cyclopropylmethyl)pyridazin-3-one is O=c1c(Cl)ccnn1CC1CC1.
What is the InChIKey of 4-chloro-2-(cyclopropylmethyl)pyridazin-3-one?
The InChIKey is JOADSQBNDIICMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c9-7-3-4-10-11(8(7)12)5-6-1-2-6/h3-4,6H,1-2,5H2.
What are the key properties of 4-chloro-2-(cyclopropylmethyl)pyridazin-3-one?
4-chloro-2-(cyclopropylmethyl)pyridazin-3-one has a molecular weight of 184.63 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclopropylmethyl)pyridazin-3-one is sourced from PubChem (CID 178099289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).