methyl 7-(1-cyclopropyl-1-hydroxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-5-carboxylate

C15H18N2O3 — CID 90461434

IUPACmethyl 7-(1-cyclopropyl-1-hydroxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-5-carboxylate
SMILESCOC(=O)c1c(C)c(C(C)(O)C2CC2)n2ncccc12
InChIInChI=1S/C15H18N2O3/c1-9-12(14(18)20-3)11-5-4-8-16-17(11)13(9)15(2,19)10-6-7-10/h4-5,8,10,19H,6-7H2,1-3H3
InChIKeyXDSFRSNYROGWJH-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.05
Rot. Bonds3

About methyl 7-(1-cyclopropyl-1-hydroxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-5-carboxylate

methyl 7-(1-cyclopropyl-1-hydroxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-5-carboxylate (PubChem CID 90461434) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 7-(1-cyclopropyl-1-hydroxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-(1-cyclopropyl-1-hydroxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-5-carboxylate
PubChem CID90461434
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namemethyl 7-(1-cyclopropyl-1-hydroxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-5-carboxylate
SMILESCOC(=O)c1c(C)c(C(C)(O)C2CC2)n2ncccc12
InChIInChI=1S/C15H18N2O3/c1-9-12(14(18)20-3)11-5-4-8-16-17(11)13(9)15(2,19)10-6-7-10/h4-5,8,10,19H,6-7H2,1-3H3
InChIKeyXDSFRSNYROGWJH-UHFFFAOYSA-N
XLogP2.05
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 7-(1-cyclopropyl-1-hydroxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-5-carboxylate?
The IUPAC name of methyl 7-(1-cyclopropyl-1-hydroxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-5-carboxylate (CID 90461434) is methyl 7-(1-cyclopropyl-1-hydroxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-5-carboxylate.
What is the SMILES notation for methyl 7-(1-cyclopropyl-1-hydroxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-5-carboxylate?
The canonical SMILES for methyl 7-(1-cyclopropyl-1-hydroxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-5-carboxylate is COC(=O)c1c(C)c(C(C)(O)C2CC2)n2ncccc12.
What is the InChIKey of methyl 7-(1-cyclopropyl-1-hydroxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-5-carboxylate?
The InChIKey is XDSFRSNYROGWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-12(14(18)20-3)11-5-4-8-16-17(11)13(9)15(2,19)10-6-7-10/h4-5,8,10,19H,6-7H2,1-3H3.
What are the key properties of methyl 7-(1-cyclopropyl-1-hydroxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-5-carboxylate?
methyl 7-(1-cyclopropyl-1-hydroxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-5-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(1-cyclopropyl-1-hydroxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-5-carboxylate is sourced from PubChem (CID 90461434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).