N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-methyl-6-oxopyridazine-3-carbohydrazide

C11H10BrN5O3 — CID 47116225

IUPACN'-(4-bromo-1H-pyrrole-2-carbonyl)-1-methyl-6-oxopyridazine-3-carbohydrazide
SMILESCn1nc(C(=O)NNC(=O)c2cc(Br)c[nH]2)ccc1=O
InChIInChI=1S/C11H10BrN5O3/c1-17-9(18)3-2-7(16-17)10(19)14-15-11(20)8-4-6(12)5-13-8/h2-5,13H,1H3,(H,14,19)(H,15,20)
InChIKeyKWWCGFSVHCSIQK-UHFFFAOYSA-N
MW340.14 g/mol
LogP-0.05
Rot. Bonds2

About N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-methyl-6-oxopyridazine-3-carbohydrazide

N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-methyl-6-oxopyridazine-3-carbohydrazide (PubChem CID 47116225) has the molecular formula C11H10BrN5O3 and a molecular weight of 340.14 g/mol. Its IUPAC name is N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-methyl-6-oxopyridazine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromo-1H-pyrrole-2-carbonyl)-1-methyl-6-oxopyridazine-3-carbohydrazide
PubChem CID47116225
Molecular FormulaC11H10BrN5O3
Molecular Weight340.14 g/mol
Exact Mass339.00
IUPAC NameN'-(4-bromo-1H-pyrrole-2-carbonyl)-1-methyl-6-oxopyridazine-3-carbohydrazide
SMILESCn1nc(C(=O)NNC(=O)c2cc(Br)c[nH]2)ccc1=O
InChIInChI=1S/C11H10BrN5O3/c1-17-9(18)3-2-7(16-17)10(19)14-15-11(20)8-4-6(12)5-13-8/h2-5,13H,1H3,(H,14,19)(H,15,20)
InChIKeyKWWCGFSVHCSIQK-UHFFFAOYSA-N
XLogP-0.05
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-methyl-6-oxopyridazine-3-carbohydrazide 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-bromo-1H-pyrrole-2-carbonyl)-1-methyl-6-oxopyridazine-3-carbohydrazide?
The IUPAC name of N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-methyl-6-oxopyridazine-3-carbohydrazide (CID 47116225) is N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-methyl-6-oxopyridazine-3-carbohydrazide.
What is the SMILES notation for N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-methyl-6-oxopyridazine-3-carbohydrazide?
The canonical SMILES for N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-methyl-6-oxopyridazine-3-carbohydrazide is Cn1nc(C(=O)NNC(=O)c2cc(Br)c[nH]2)ccc1=O.
What is the InChIKey of N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-methyl-6-oxopyridazine-3-carbohydrazide?
The InChIKey is KWWCGFSVHCSIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5O3/c1-17-9(18)3-2-7(16-17)10(19)14-15-11(20)8-4-6(12)5-13-8/h2-5,13H,1H3,(H,14,19)(H,15,20).
What are the key properties of N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-methyl-6-oxopyridazine-3-carbohydrazide?
N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-methyl-6-oxopyridazine-3-carbohydrazide has a molecular weight of 340.14 g/mol, XLogP of -0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-methyl-6-oxopyridazine-3-carbohydrazide is sourced from PubChem (CID 47116225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).