N-(2-bromoprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C8H10BrN3O2 — CID 115594585

IUPACN-(2-bromoprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESC=C(Br)CNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C8H10BrN3O2/c1-5(9)4-10-8(14)6-2-3-7(13)12-11-6/h1-4H2,(H,10,14)(H,12,13)
InChIKeyITOLVLMHPUBFSD-UHFFFAOYSA-N
MW260.09 g/mol
LogP0.28
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(2-bromoprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 115594585) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID115594585
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC NameN-(2-bromoprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESC=C(Br)CNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C8H10BrN3O2/c1-5(9)4-10-8(14)6-2-3-7(13)12-11-6/h1-4H2,(H,10,14)(H,12,13)
InChIKeyITOLVLMHPUBFSD-UHFFFAOYSA-N
XLogP0.28
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 115594585) is N-(2-bromoprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is C=C(Br)CNC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is ITOLVLMHPUBFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c1-5(9)4-10-8(14)6-2-3-7(13)12-11-6/h1-4H2,(H,10,14)(H,12,13).
What are the key properties of N-(2-bromoprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(2-bromoprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 260.09 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 115594585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).