N-(4-bromopentyl)-6-oxo-1H-pyridazine-3-carboxamide

C10H14BrN3O2 — CID 106131416

IUPACN-(4-bromopentyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(Br)CCCNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H14BrN3O2/c1-7(11)3-2-6-12-10(16)8-4-5-9(15)14-13-8/h4-5,7H,2-3,6H2,1H3,(H,12,16)(H,14,15)
InChIKeyVZCTZEDSHGDNGA-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.06
Rot. Bonds5

About N-(4-bromopentyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(4-bromopentyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 106131416) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is N-(4-bromopentyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromopentyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID106131416
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC NameN-(4-bromopentyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(Br)CCCNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H14BrN3O2/c1-7(11)3-2-6-12-10(16)8-4-5-9(15)14-13-8/h4-5,7H,2-3,6H2,1H3,(H,12,16)(H,14,15)
InChIKeyVZCTZEDSHGDNGA-UHFFFAOYSA-N
XLogP1.06
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-bromopentyl)-6-oxo-1H-pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromopentyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(4-bromopentyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 106131416) is N-(4-bromopentyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-bromopentyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(4-bromopentyl)-6-oxo-1H-pyridazine-3-carboxamide is CC(Br)CCCNC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(4-bromopentyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is VZCTZEDSHGDNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-7(11)3-2-6-12-10(16)8-4-5-9(15)14-13-8/h4-5,7H,2-3,6H2,1H3,(H,12,16)(H,14,15).
What are the key properties of N-(4-bromopentyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(4-bromopentyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 288.14 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromopentyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 106131416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).