2,3-dichloro-5-methyl-1H-pyrrolo[2,3-d]pyridazin-4-one

C7H5Cl2N3O — CID 135667580

IUPAC2,3-dichloro-5-methyl-1H-pyrrolo[2,3-d]pyridazin-4-one
SMILESCn1ncc2[nH]c(Cl)c(Cl)c2c1=O
InChIInChI=1S/C7H5Cl2N3O/c1-12-7(13)4-3(2-10-12)11-6(9)5(4)8/h2,11H,1H3
InChIKeyNVQYHFDRAZJUCD-UHFFFAOYSA-N
MW218.04 g/mol
LogP1.57
Rot. Bonds

About 2,3-dichloro-5-methyl-1H-pyrrolo[2,3-d]pyridazin-4-one

2,3-dichloro-5-methyl-1H-pyrrolo[2,3-d]pyridazin-4-one (PubChem CID 135667580) has the molecular formula C7H5Cl2N3O and a molecular weight of 218.04 g/mol. Its IUPAC name is 2,3-dichloro-5-methyl-1H-pyrrolo[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name2,3-dichloro-5-methyl-1H-pyrrolo[2,3-d]pyridazin-4-one
PubChem CID135667580
Molecular FormulaC7H5Cl2N3O
Molecular Weight218.04 g/mol
Exact Mass216.98
IUPAC Name2,3-dichloro-5-methyl-1H-pyrrolo[2,3-d]pyridazin-4-one
SMILESCn1ncc2[nH]c(Cl)c(Cl)c2c1=O
InChIInChI=1S/C7H5Cl2N3O/c1-12-7(13)4-3(2-10-12)11-6(9)5(4)8/h2,11H,1H3
InChIKeyNVQYHFDRAZJUCD-UHFFFAOYSA-N
XLogP1.57
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.04
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one
CID 135502832
4,5-bis(2,5-dimethylthiophen-3-yl)-2-methylpyridazin-3-one
CID 132969782
3,5-dimethyl-2H-pyrazolo[3,4-d]pyridazin-4-one
CID 18919082
2-methyl-6H-pyrido[3,4-d]pyridazine-1,7-dione
CID 170776049
8-chloro-5-methoxy-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one
CID 23442496
2,6,7-trimethylphthalazin-1-one
CID 10899398
4-chloro-5-(cyclopentylamino)-2-methylpyridazin-3-one
CID 33286886
4-chloro-5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methylpyridazin-3-one
CID 115580005
4-chloro-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 17088020
3-(4-chlorophenyl)-1,5-dimethylpyrazolo[3,4-d]pyridazin-4-one
CID 13381148
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one
CID 113222223

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-methyl-1H-pyrrolo[2,3-d]pyridazin-4-one?
The IUPAC name of 2,3-dichloro-5-methyl-1H-pyrrolo[2,3-d]pyridazin-4-one (CID 135667580) is 2,3-dichloro-5-methyl-1H-pyrrolo[2,3-d]pyridazin-4-one.
What is the SMILES notation for 2,3-dichloro-5-methyl-1H-pyrrolo[2,3-d]pyridazin-4-one?
The canonical SMILES for 2,3-dichloro-5-methyl-1H-pyrrolo[2,3-d]pyridazin-4-one is Cn1ncc2[nH]c(Cl)c(Cl)c2c1=O.
What is the InChIKey of 2,3-dichloro-5-methyl-1H-pyrrolo[2,3-d]pyridazin-4-one?
The InChIKey is NVQYHFDRAZJUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2N3O/c1-12-7(13)4-3(2-10-12)11-6(9)5(4)8/h2,11H,1H3.
What are the key properties of 2,3-dichloro-5-methyl-1H-pyrrolo[2,3-d]pyridazin-4-one?
2,3-dichloro-5-methyl-1H-pyrrolo[2,3-d]pyridazin-4-one has a molecular weight of 218.04 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-methyl-1H-pyrrolo[2,3-d]pyridazin-4-one is sourced from PubChem (CID 135667580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).