4,5-di(propan-2-yl)pyrrolo[1,2-b]pyridazine

C13H18N2 — CID 58297681

IUPAC4,5-di(propan-2-yl)pyrrolo[1,2-b]pyridazine
SMILESCC(C)c1ccnn2ccc(C(C)C)c12
InChIInChI=1S/C13H18N2/c1-9(2)11-5-7-14-15-8-6-12(10(3)4)13(11)15/h5-10H,1-4H3
InChIKeyXSRPCFNQANPGRH-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.58
Rot. Bonds2

About 4,5-di(propan-2-yl)pyrrolo[1,2-b]pyridazine

4,5-di(propan-2-yl)pyrrolo[1,2-b]pyridazine (PubChem CID 58297681) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)pyrrolo[1,2-b]pyridazine.

Molecular Properties

Compound Name4,5-di(propan-2-yl)pyrrolo[1,2-b]pyridazine
PubChem CID58297681
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name4,5-di(propan-2-yl)pyrrolo[1,2-b]pyridazine
SMILESCC(C)c1ccnn2ccc(C(C)C)c12
InChIInChI=1S/C13H18N2/c1-9(2)11-5-7-14-15-8-6-12(10(3)4)13(11)15/h5-10H,1-4H3
InChIKeyXSRPCFNQANPGRH-UHFFFAOYSA-N
XLogP3.58
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Besipirdine
CID 60691
Nerispirdine
CID 3081185
Pyrazolo(1,5-a)pyridine
CID 67507
1-methyl-N,N-dimethyltryptamine
CID 25927
2-Phenylindolizine
CID 96128
2-(4-Methylphenyl)indolizine
CID 346948
5-Methyl-2-phenyl-indolizine
CID 610180
2-(4-Fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9814925
2-(4-Fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9857146
6-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9944397
Ethyl-indol-1-yl-pyridin-4-yl-amine
CID 10561859
Indol-1-yl-methyl-pyridin-4-yl-amine
CID 10799123

Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yl)pyrrolo[1,2-b]pyridazine?
The IUPAC name of 4,5-di(propan-2-yl)pyrrolo[1,2-b]pyridazine (CID 58297681) is 4,5-di(propan-2-yl)pyrrolo[1,2-b]pyridazine.
What is the SMILES notation for 4,5-di(propan-2-yl)pyrrolo[1,2-b]pyridazine?
The canonical SMILES for 4,5-di(propan-2-yl)pyrrolo[1,2-b]pyridazine is CC(C)c1ccnn2ccc(C(C)C)c12.
What is the InChIKey of 4,5-di(propan-2-yl)pyrrolo[1,2-b]pyridazine?
The InChIKey is XSRPCFNQANPGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9(2)11-5-7-14-15-8-6-12(10(3)4)13(11)15/h5-10H,1-4H3.
What are the key properties of 4,5-di(propan-2-yl)pyrrolo[1,2-b]pyridazine?
4,5-di(propan-2-yl)pyrrolo[1,2-b]pyridazine has a molecular weight of 202.30 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)pyrrolo[1,2-b]pyridazine is sourced from PubChem (CID 58297681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).