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

C15H20N4O — CID 118723917

IUPAC4-[[(1S)-2,2-dimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC1(C)CCC[C@@H]1Nc1c(C(N)=O)cnn2cccc12
InChIInChI=1S/C15H20N4O/c1-15(2)7-3-6-12(15)18-13-10(14(16)20)9-17-19-8-4-5-11(13)19/h4-5,8-9,12,18H,3,6-7H2,1-2H3,(H2,16,20)/t12-/m0/s1
InChIKeyOJOPEZPLUQZWLY-LBPRGKRZSA-N
MW272.35 g/mol
LogP2.42
Rot. Bonds3

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

4-[[(1S)-2,2-dimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 118723917) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[[(1S)-2,2-dimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[[(1S)-2,2-dimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID118723917
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-[[(1S)-2,2-dimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC1(C)CCC[C@@H]1Nc1c(C(N)=O)cnn2cccc12
InChIInChI=1S/C15H20N4O/c1-15(2)7-3-6-12(15)18-13-10(14(16)20)9-17-19-8-4-5-11(13)19/h4-5,8-9,12,18H,3,6-7H2,1-2H3,(H2,16,20)/t12-/m0/s1
InChIKeyOJOPEZPLUQZWLY-LBPRGKRZSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-2,2-dimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-[[(1S)-2,2-dimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 118723917) is 4-[[(1S)-2,2-dimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[[(1S)-2,2-dimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-[[(1S)-2,2-dimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is CC1(C)CCC[C@@H]1Nc1c(C(N)=O)cnn2cccc12.
What is the InChIKey of 4-[[(1S)-2,2-dimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is OJOPEZPLUQZWLY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(2)7-3-6-12(15)18-13-10(14(16)20)9-17-19-8-4-5-11(13)19/h4-5,8-9,12,18H,3,6-7H2,1-2H3,(H2,16,20)/t12-/m0/s1.
What are the key properties of 4-[[(1S)-2,2-dimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-[[(1S)-2,2-dimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-2,2-dimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 118723917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).