7-chloro-4-methyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one

C7H6ClN3O — CID 171521616

IUPAC7-chloro-4-methyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one
SMILESCc1n[nH]c(=O)c2c(Cl)[nH]cc12
InChIInChI=1S/C7H6ClN3O/c1-3-4-2-9-6(8)5(4)7(12)11-10-3/h2,9H,1H3,(H,11,12)
InChIKeyVWNKQDOFURSSSZ-UHFFFAOYSA-N
MW183.60 g/mol
LogP1.21
Rot. Bonds

About 7-chloro-4-methyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one

7-chloro-4-methyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one (PubChem CID 171521616) has the molecular formula C7H6ClN3O and a molecular weight of 183.60 g/mol. Its IUPAC name is 7-chloro-4-methyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one.

Molecular Properties

Compound Name7-chloro-4-methyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one
PubChem CID171521616
Molecular FormulaC7H6ClN3O
Molecular Weight183.60 g/mol
Exact Mass183.02
IUPAC Name7-chloro-4-methyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one
SMILESCc1n[nH]c(=O)c2c(Cl)[nH]cc12
InChIInChI=1S/C7H6ClN3O/c1-3-4-2-9-6(8)5(4)7(12)11-10-3/h2,9H,1H3,(H,11,12)
InChIKeyVWNKQDOFURSSSZ-UHFFFAOYSA-N
XLogP1.21
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.60
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one?
The IUPAC name of 7-chloro-4-methyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one (CID 171521616) is 7-chloro-4-methyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one.
What is the SMILES notation for 7-chloro-4-methyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one?
The canonical SMILES for 7-chloro-4-methyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one is Cc1n[nH]c(=O)c2c(Cl)[nH]cc12.
What is the InChIKey of 7-chloro-4-methyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one?
The InChIKey is VWNKQDOFURSSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O/c1-3-4-2-9-6(8)5(4)7(12)11-10-3/h2,9H,1H3,(H,11,12).
What are the key properties of 7-chloro-4-methyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one?
7-chloro-4-methyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one has a molecular weight of 183.60 g/mol, XLogP of 1.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one is sourced from PubChem (CID 171521616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).