7-[(2-chlorophenyl)methoxy]-1,2,3-trimethylpyrrolo[2,3-d]pyridazine

C16H16ClN3O — CID 54488294

IUPAC7-[(2-chlorophenyl)methoxy]-1,2,3-trimethylpyrrolo[2,3-d]pyridazine
SMILESCc1c(C)n(C)c2c(OCc3ccccc3Cl)nncc12
InChIInChI=1S/C16H16ClN3O/c1-10-11(2)20(3)15-13(10)8-18-19-16(15)21-9-12-6-4-5-7-14(12)17/h4-8H,9H2,1-3H3
InChIKeyXTXRBOPMJUKBMH-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.82
Rot. Bonds3

About 7-[(2-chlorophenyl)methoxy]-1,2,3-trimethylpyrrolo[2,3-d]pyridazine

7-[(2-chlorophenyl)methoxy]-1,2,3-trimethylpyrrolo[2,3-d]pyridazine (PubChem CID 54488294) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 7-[(2-chlorophenyl)methoxy]-1,2,3-trimethylpyrrolo[2,3-d]pyridazine.

Molecular Properties

Compound Name7-[(2-chlorophenyl)methoxy]-1,2,3-trimethylpyrrolo[2,3-d]pyridazine
PubChem CID54488294
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name7-[(2-chlorophenyl)methoxy]-1,2,3-trimethylpyrrolo[2,3-d]pyridazine
SMILESCc1c(C)n(C)c2c(OCc3ccccc3Cl)nncc12
InChIInChI=1S/C16H16ClN3O/c1-10-11(2)20(3)15-13(10)8-18-19-16(15)21-9-12-6-4-5-7-14(12)17/h4-8H,9H2,1-3H3
InChIKeyXTXRBOPMJUKBMH-UHFFFAOYSA-N
XLogP3.82
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-chlorophenyl)methoxy]-1,2,3-trimethylpyrrolo[2,3-d]pyridazine?
The IUPAC name of 7-[(2-chlorophenyl)methoxy]-1,2,3-trimethylpyrrolo[2,3-d]pyridazine (CID 54488294) is 7-[(2-chlorophenyl)methoxy]-1,2,3-trimethylpyrrolo[2,3-d]pyridazine.
What is the SMILES notation for 7-[(2-chlorophenyl)methoxy]-1,2,3-trimethylpyrrolo[2,3-d]pyridazine?
The canonical SMILES for 7-[(2-chlorophenyl)methoxy]-1,2,3-trimethylpyrrolo[2,3-d]pyridazine is Cc1c(C)n(C)c2c(OCc3ccccc3Cl)nncc12.
What is the InChIKey of 7-[(2-chlorophenyl)methoxy]-1,2,3-trimethylpyrrolo[2,3-d]pyridazine?
The InChIKey is XTXRBOPMJUKBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-10-11(2)20(3)15-13(10)8-18-19-16(15)21-9-12-6-4-5-7-14(12)17/h4-8H,9H2,1-3H3.
What are the key properties of 7-[(2-chlorophenyl)methoxy]-1,2,3-trimethylpyrrolo[2,3-d]pyridazine?
7-[(2-chlorophenyl)methoxy]-1,2,3-trimethylpyrrolo[2,3-d]pyridazine has a molecular weight of 301.78 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chlorophenyl)methoxy]-1,2,3-trimethylpyrrolo[2,3-d]pyridazine is sourced from PubChem (CID 54488294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).