4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine

C9H10ClN3 — CID 13257545

IUPAC4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine
SMILESCc1c2cnnc(Cl)c2c(C)n1C
InChIInChI=1S/C9H10ClN3/c1-5-7-4-11-12-9(10)8(7)6(2)13(5)3/h4H,1-3H3
InChIKeyRIVWEUYBKRJSIF-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.24
Rot. Bonds

About 4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine

4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine (PubChem CID 13257545) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine
PubChem CID13257545
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine
SMILESCc1c2cnnc(Cl)c2c(C)n1C
InChIInChI=1S/C9H10ClN3/c1-5-7-4-11-12-9(10)8(7)6(2)13(5)3/h4H,1-3H3
InChIKeyRIVWEUYBKRJSIF-UHFFFAOYSA-N
XLogP2.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine?
The IUPAC name of 4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine (CID 13257545) is 4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine?
The canonical SMILES for 4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine is Cc1c2cnnc(Cl)c2c(C)n1C.
What is the InChIKey of 4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine?
The InChIKey is RIVWEUYBKRJSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3/c1-5-7-4-11-12-9(10)8(7)6(2)13(5)3/h4H,1-3H3.
What are the key properties of 4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine?
4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine has a molecular weight of 195.65 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 13257545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).