6-[(4-chlorophenyl)methyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine

C17H18ClN3 — CID 806574

IUPAC6-[(4-chlorophenyl)methyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
SMILESCc1nnc(C)c2c(C)n(Cc3ccc(Cl)cc3)c(C)c12
InChIInChI=1S/C17H18ClN3/c1-10-16-12(3)21(9-14-5-7-15(18)8-6-14)13(4)17(16)11(2)20-19-10/h5-8H,9H2,1-4H3
InChIKeyCYRSJSOHAFUPAA-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.37
Rot. Bonds2

About 6-[(4-chlorophenyl)methyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine

6-[(4-chlorophenyl)methyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine (PubChem CID 806574) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
PubChem CID806574
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name6-[(4-chlorophenyl)methyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
SMILESCc1nnc(C)c2c(C)n(Cc3ccc(Cl)cc3)c(C)c12
InChIInChI=1S/C17H18ClN3/c1-10-16-12(3)21(9-14-5-7-15(18)8-6-14)13(4)17(16)11(2)20-19-10/h5-8H,9H2,1-4H3
InChIKeyCYRSJSOHAFUPAA-UHFFFAOYSA-N
XLogP4.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The IUPAC name of 6-[(4-chlorophenyl)methyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine (CID 806574) is 6-[(4-chlorophenyl)methyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine is Cc1nnc(C)c2c(C)n(Cc3ccc(Cl)cc3)c(C)c12.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The InChIKey is CYRSJSOHAFUPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-10-16-12(3)21(9-14-5-7-15(18)8-6-14)13(4)17(16)11(2)20-19-10/h5-8H,9H2,1-4H3.
What are the key properties of 6-[(4-chlorophenyl)methyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
6-[(4-chlorophenyl)methyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine has a molecular weight of 299.81 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 806574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).