2,3-dimethyl-7-phenylmethoxy-1-prop-2-enylpyrrolo[2,3-d]pyridazine

C18H19N3O — CID 18785697

IUPAC2,3-dimethyl-7-phenylmethoxy-1-prop-2-enylpyrrolo[2,3-d]pyridazine
SMILESC=CCn1c(C)c(C)c2cnnc(OCc3ccccc3)c21
InChIInChI=1S/C18H19N3O/c1-4-10-21-14(3)13(2)16-11-19-20-18(17(16)21)22-12-15-8-6-5-7-9-15/h4-9,11H,1,10,12H2,2-3H3
InChIKeyJLBHHQHEPNWMTE-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.81
Rot. Bonds5

About 2,3-dimethyl-7-phenylmethoxy-1-prop-2-enylpyrrolo[2,3-d]pyridazine

2,3-dimethyl-7-phenylmethoxy-1-prop-2-enylpyrrolo[2,3-d]pyridazine (PubChem CID 18785697) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2,3-dimethyl-7-phenylmethoxy-1-prop-2-enylpyrrolo[2,3-d]pyridazine.

Molecular Properties

Compound Name2,3-dimethyl-7-phenylmethoxy-1-prop-2-enylpyrrolo[2,3-d]pyridazine
PubChem CID18785697
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2,3-dimethyl-7-phenylmethoxy-1-prop-2-enylpyrrolo[2,3-d]pyridazine
SMILESC=CCn1c(C)c(C)c2cnnc(OCc3ccccc3)c21
InChIInChI=1S/C18H19N3O/c1-4-10-21-14(3)13(2)16-11-19-20-18(17(16)21)22-12-15-8-6-5-7-9-15/h4-9,11H,1,10,12H2,2-3H3
InChIKeyJLBHHQHEPNWMTE-UHFFFAOYSA-N
XLogP3.81
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-7-phenylmethoxy-1-prop-2-enylpyrrolo[2,3-d]pyridazine?
The IUPAC name of 2,3-dimethyl-7-phenylmethoxy-1-prop-2-enylpyrrolo[2,3-d]pyridazine (CID 18785697) is 2,3-dimethyl-7-phenylmethoxy-1-prop-2-enylpyrrolo[2,3-d]pyridazine.
What is the SMILES notation for 2,3-dimethyl-7-phenylmethoxy-1-prop-2-enylpyrrolo[2,3-d]pyridazine?
The canonical SMILES for 2,3-dimethyl-7-phenylmethoxy-1-prop-2-enylpyrrolo[2,3-d]pyridazine is C=CCn1c(C)c(C)c2cnnc(OCc3ccccc3)c21.
What is the InChIKey of 2,3-dimethyl-7-phenylmethoxy-1-prop-2-enylpyrrolo[2,3-d]pyridazine?
The InChIKey is JLBHHQHEPNWMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-4-10-21-14(3)13(2)16-11-19-20-18(17(16)21)22-12-15-8-6-5-7-9-15/h4-9,11H,1,10,12H2,2-3H3.
What are the key properties of 2,3-dimethyl-7-phenylmethoxy-1-prop-2-enylpyrrolo[2,3-d]pyridazine?
2,3-dimethyl-7-phenylmethoxy-1-prop-2-enylpyrrolo[2,3-d]pyridazine has a molecular weight of 293.37 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-7-phenylmethoxy-1-prop-2-enylpyrrolo[2,3-d]pyridazine is sourced from PubChem (CID 18785697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).