4-chloro-2-methyl-3-oxo-7H-pyrrolo[2,3-c]pyridazine-5-carbonitrile

C8H5ClN4O — CID 135547015

IUPAC4-chloro-2-methyl-3-oxo-7H-pyrrolo[2,3-c]pyridazine-5-carbonitrile
SMILESCn1nc2[nH]cc(C#N)c2c(Cl)c1=O
InChIInChI=1S/C8H5ClN4O/c1-13-8(14)6(9)5-4(2-10)3-11-7(5)12-13/h3H,1H3,(H,11,12)
InChIKeyHJODHENFTUJFIQ-UHFFFAOYSA-N
MW208.61 g/mol
LogP0.79
Rot. Bonds

About 4-chloro-2-methyl-3-oxo-7H-pyrrolo[2,3-c]pyridazine-5-carbonitrile

4-chloro-2-methyl-3-oxo-7H-pyrrolo[2,3-c]pyridazine-5-carbonitrile (PubChem CID 135547015) has the molecular formula C8H5ClN4O and a molecular weight of 208.61 g/mol. Its IUPAC name is 4-chloro-2-methyl-3-oxo-7H-pyrrolo[2,3-c]pyridazine-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-methyl-3-oxo-7H-pyrrolo[2,3-c]pyridazine-5-carbonitrile
PubChem CID135547015
Molecular FormulaC8H5ClN4O
Molecular Weight208.61 g/mol
Exact Mass208.02
IUPAC Name4-chloro-2-methyl-3-oxo-7H-pyrrolo[2,3-c]pyridazine-5-carbonitrile
SMILESCn1nc2[nH]cc(C#N)c2c(Cl)c1=O
InChIInChI=1S/C8H5ClN4O/c1-13-8(14)6(9)5-4(2-10)3-11-7(5)12-13/h3H,1H3,(H,11,12)
InChIKeyHJODHENFTUJFIQ-UHFFFAOYSA-N
XLogP0.79
TPSA74.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.61
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-3-oxo-7H-pyrrolo[2,3-c]pyridazine-5-carbonitrile?
The IUPAC name of 4-chloro-2-methyl-3-oxo-7H-pyrrolo[2,3-c]pyridazine-5-carbonitrile (CID 135547015) is 4-chloro-2-methyl-3-oxo-7H-pyrrolo[2,3-c]pyridazine-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-methyl-3-oxo-7H-pyrrolo[2,3-c]pyridazine-5-carbonitrile?
The canonical SMILES for 4-chloro-2-methyl-3-oxo-7H-pyrrolo[2,3-c]pyridazine-5-carbonitrile is Cn1nc2[nH]cc(C#N)c2c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-3-oxo-7H-pyrrolo[2,3-c]pyridazine-5-carbonitrile?
The InChIKey is HJODHENFTUJFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN4O/c1-13-8(14)6(9)5-4(2-10)3-11-7(5)12-13/h3H,1H3,(H,11,12).
What are the key properties of 4-chloro-2-methyl-3-oxo-7H-pyrrolo[2,3-c]pyridazine-5-carbonitrile?
4-chloro-2-methyl-3-oxo-7H-pyrrolo[2,3-c]pyridazine-5-carbonitrile has a molecular weight of 208.61 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-3-oxo-7H-pyrrolo[2,3-c]pyridazine-5-carbonitrile is sourced from PubChem (CID 135547015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).