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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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).