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

C13H16N4O — CID 50914031

IUPAC4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnn2cccc2c1NC1CCCC1
InChIInChI=1S/C13H16N4O/c14-13(18)10-8-15-17-7-3-6-11(17)12(10)16-9-4-1-2-5-9/h3,6-9,16H,1-2,4-5H2,(H2,14,18)
InChIKeyZBSVAMAKPQOWFS-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.79
Rot. Bonds3

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

4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 50914031) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID50914031
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnn2cccc2c1NC1CCCC1
InChIInChI=1S/C13H16N4O/c14-13(18)10-8-15-17-7-3-6-11(17)12(10)16-9-4-1-2-5-9/h3,6-9,16H,1-2,4-5H2,(H2,14,18)
InChIKeyZBSVAMAKPQOWFS-UHFFFAOYSA-N
XLogP1.79
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 50914031) is 4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is NC(=O)c1cnn2cccc2c1NC1CCCC1.
What is the InChIKey of 4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is ZBSVAMAKPQOWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-13(18)10-8-15-17-7-3-6-11(17)12(10)16-9-4-1-2-5-9/h3,6-9,16H,1-2,4-5H2,(H2,14,18).
What are the key properties of 4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 50914031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).