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

C9H11Cl2N3 — CID 13257546

IUPAC4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine;hydrochloride
SMILESCc1c2cnnc(Cl)c2c(C)n1C.Cl
InChIInChI=1S/C9H10ClN3.ClH/c1-5-7-4-11-12-9(10)8(7)6(2)13(5)3;/h4H,1-3H3;1H
InChIKeySSJAZRJBDZCETI-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.66
Rot. Bonds

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

4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine;hydrochloride (PubChem CID 13257546) has the molecular formula C9H11Cl2N3 and a molecular weight of 232.11 g/mol. Its IUPAC name is 4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine;hydrochloride.

Molecular Properties

Compound Name4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine;hydrochloride
PubChem CID13257546
Molecular FormulaC9H11Cl2N3
Molecular Weight232.11 g/mol
Exact Mass231.03
IUPAC Name4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine;hydrochloride
SMILESCc1c2cnnc(Cl)c2c(C)n1C.Cl
InChIInChI=1S/C9H10ClN3.ClH/c1-5-7-4-11-12-9(10)8(7)6(2)13(5)3;/h4H,1-3H3;1H
InChIKeySSJAZRJBDZCETI-UHFFFAOYSA-N
XLogP2.66
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.66
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;hydrochloride?
The IUPAC name of 4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine;hydrochloride (CID 13257546) is 4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine;hydrochloride.
What is the SMILES notation for 4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine;hydrochloride?
The canonical SMILES for 4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine;hydrochloride is Cc1c2cnnc(Cl)c2c(C)n1C.Cl.
What is the InChIKey of 4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine;hydrochloride?
The InChIKey is SSJAZRJBDZCETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3.ClH/c1-5-7-4-11-12-9(10)8(7)6(2)13(5)3;/h4H,1-3H3;1H.
What are the key properties of 4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine;hydrochloride?
4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine;hydrochloride has a molecular weight of 232.11 g/mol, XLogP of 2.66, 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;hydrochloride is sourced from PubChem (CID 13257546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).