N-(2-aminophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide

C11H9ClN4O2 — CID 86611609

IUPACN-(2-aminophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide
SMILESNc1ccccc1NC(=O)c1cc(Cl)n[nH]c1=O
InChIInChI=1S/C11H9ClN4O2/c12-9-5-6(11(18)16-15-9)10(17)14-8-4-2-1-3-7(8)13/h1-5H,13H2,(H,14,17)(H,16,18)
InChIKeyFDCNTRBFUJTFTH-UHFFFAOYSA-N
MW264.67 g/mol
LogP1.26
Rot. Bonds2

About N-(2-aminophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide

N-(2-aminophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 86611609) has the molecular formula C11H9ClN4O2 and a molecular weight of 264.67 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID86611609
Molecular FormulaC11H9ClN4O2
Molecular Weight264.67 g/mol
Exact Mass264.04
IUPAC NameN-(2-aminophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide
SMILESNc1ccccc1NC(=O)c1cc(Cl)n[nH]c1=O
InChIInChI=1S/C11H9ClN4O2/c12-9-5-6(11(18)16-15-9)10(17)14-8-4-2-1-3-7(8)13/h1-5H,13H2,(H,14,17)(H,16,18)
InChIKeyFDCNTRBFUJTFTH-UHFFFAOYSA-N
XLogP1.26
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of N-(2-aminophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide (CID 86611609) is N-(2-aminophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide is Nc1ccccc1NC(=O)c1cc(Cl)n[nH]c1=O.
What is the InChIKey of N-(2-aminophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is FDCNTRBFUJTFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2/c12-9-5-6(11(18)16-15-9)10(17)14-8-4-2-1-3-7(8)13/h1-5H,13H2,(H,14,17)(H,16,18).
What are the key properties of N-(2-aminophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide?
N-(2-aminophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 264.67 g/mol, XLogP of 1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 86611609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).