4-[(2,3-dimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

C15H20N4O — CID 123211961

IUPAC4-[(2,3-dimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC1CCC(Nc2c(C(N)=O)cnn3cccc23)C1C
InChIInChI=1S/C15H20N4O/c1-9-5-6-12(10(9)2)18-14-11(15(16)20)8-17-19-7-3-4-13(14)19/h3-4,7-10,12,18H,5-6H2,1-2H3,(H2,16,20)
InChIKeyMDZDCUCGODMNAU-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.28
Rot. Bonds3

About 4-[(2,3-dimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

4-[(2,3-dimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 123211961) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[(2,3-dimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[(2,3-dimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID123211961
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-[(2,3-dimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC1CCC(Nc2c(C(N)=O)cnn3cccc23)C1C
InChIInChI=1S/C15H20N4O/c1-9-5-6-12(10(9)2)18-14-11(15(16)20)8-17-19-7-3-4-13(14)19/h3-4,7-10,12,18H,5-6H2,1-2H3,(H2,16,20)
InChIKeyMDZDCUCGODMNAU-UHFFFAOYSA-N
XLogP2.28
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,3-dimethylcyclopentyl)amino]-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
CID 123839186
4-[(2-fluorocyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 123397603
4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 50913290
4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 50914175
4-[[(1R,3S)-3-hydroxy-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 118723918
4-[[(1R,2S)-2-hydroxy-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 118723921
4-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 118723923
4-[(4-carbamoyl-3,4-dihydro-2H-chromen-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 67965567
6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 50914486
7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 67965614
4-[(1-prop-2-enoylpyrrolidin-3-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 175800553
4-[(2-methylcyclohexyl)amino]-7-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide
CID 88535208

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-[(2,3-dimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 123211961) is 4-[(2,3-dimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[(2,3-dimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-[(2,3-dimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is CC1CCC(Nc2c(C(N)=O)cnn3cccc23)C1C.
What is the InChIKey of 4-[(2,3-dimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is MDZDCUCGODMNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-9-5-6-12(10(9)2)18-14-11(15(16)20)8-17-19-7-3-4-13(14)19/h3-4,7-10,12,18H,5-6H2,1-2H3,(H2,16,20).
What are the key properties of 4-[(2,3-dimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-[(2,3-dimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 123211961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).