4-amino-N-(6-oxo-1H-pyridazin-3-yl)cyclopent-2-ene-1-carboxamide

C10H12N4O2 — CID 116786888

IUPAC4-amino-N-(6-oxo-1H-pyridazin-3-yl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)Nc2ccc(=O)[nH]n2)C1
InChIInChI=1S/C10H12N4O2/c11-7-2-1-6(5-7)10(16)12-8-3-4-9(15)14-13-8/h1-4,6-7H,5,11H2,(H,14,15)(H,12,13,16)
InChIKeyILZJICAROGSGBU-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.39
Rot. Bonds2

About 4-amino-N-(6-oxo-1H-pyridazin-3-yl)cyclopent-2-ene-1-carboxamide

4-amino-N-(6-oxo-1H-pyridazin-3-yl)cyclopent-2-ene-1-carboxamide (PubChem CID 116786888) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-amino-N-(6-oxo-1H-pyridazin-3-yl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(6-oxo-1H-pyridazin-3-yl)cyclopent-2-ene-1-carboxamide
PubChem CID116786888
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name4-amino-N-(6-oxo-1H-pyridazin-3-yl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)Nc2ccc(=O)[nH]n2)C1
InChIInChI=1S/C10H12N4O2/c11-7-2-1-6(5-7)10(16)12-8-3-4-9(15)14-13-8/h1-4,6-7H,5,11H2,(H,14,15)(H,12,13,16)
InChIKeyILZJICAROGSGBU-UHFFFAOYSA-N
XLogP-0.39
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-oxo-1H-pyridazin-3-yl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(6-oxo-1H-pyridazin-3-yl)cyclopent-2-ene-1-carboxamide (CID 116786888) is 4-amino-N-(6-oxo-1H-pyridazin-3-yl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(6-oxo-1H-pyridazin-3-yl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(6-oxo-1H-pyridazin-3-yl)cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)Nc2ccc(=O)[nH]n2)C1.
What is the InChIKey of 4-amino-N-(6-oxo-1H-pyridazin-3-yl)cyclopent-2-ene-1-carboxamide?
The InChIKey is ILZJICAROGSGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c11-7-2-1-6(5-7)10(16)12-8-3-4-9(15)14-13-8/h1-4,6-7H,5,11H2,(H,14,15)(H,12,13,16).
What are the key properties of 4-amino-N-(6-oxo-1H-pyridazin-3-yl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(6-oxo-1H-pyridazin-3-yl)cyclopent-2-ene-1-carboxamide has a molecular weight of 220.23 g/mol, XLogP of -0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-oxo-1H-pyridazin-3-yl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 116786888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).