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

C13H17N5O — CID 50914624

IUPAC6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnn2cc(N)cc2c1NC1CCCC1
InChIInChI=1S/C13H17N5O/c14-8-5-11-12(17-9-3-1-2-4-9)10(13(15)19)6-16-18(11)7-8/h5-7,9,17H,1-4,14H2,(H2,15,19)
InChIKeyZSNPXRXFTWJDLQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.37
Rot. Bonds3

About 6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide

6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 50914624) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID50914624
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnn2cc(N)cc2c1NC1CCCC1
InChIInChI=1S/C13H17N5O/c14-8-5-11-12(17-9-3-1-2-4-9)10(13(15)19)6-16-18(11)7-8/h5-7,9,17H,1-4,14H2,(H2,15,19)
InChIKeyZSNPXRXFTWJDLQ-UHFFFAOYSA-N
XLogP1.37
TPSA98.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 50914624) is 6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is NC(=O)c1cnn2cc(N)cc2c1NC1CCCC1.
What is the InChIKey of 6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is ZSNPXRXFTWJDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c14-8-5-11-12(17-9-3-1-2-4-9)10(13(15)19)6-16-18(11)7-8/h5-7,9,17H,1-4,14H2,(H2,15,19).
What are the key properties of 6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 50914624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).