6-[1-(3-bromophenyl)ethylamino]pyridazine-3-carboxamide

C13H13BrN4O — CID 79099168

IUPAC6-[1-(3-bromophenyl)ethylamino]pyridazine-3-carboxamide
SMILESCC(Nc1ccc(C(N)=O)nn1)c1cccc(Br)c1
InChIInChI=1S/C13H13BrN4O/c1-8(9-3-2-4-10(14)7-9)16-12-6-5-11(13(15)19)17-18-12/h2-8H,1H3,(H2,15,19)(H,16,18)
InChIKeyNYVQBVCFWQSTII-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.51
Rot. Bonds4

About 6-[1-(3-bromophenyl)ethylamino]pyridazine-3-carboxamide

6-[1-(3-bromophenyl)ethylamino]pyridazine-3-carboxamide (PubChem CID 79099168) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is 6-[1-(3-bromophenyl)ethylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(3-bromophenyl)ethylamino]pyridazine-3-carboxamide
PubChem CID79099168
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name6-[1-(3-bromophenyl)ethylamino]pyridazine-3-carboxamide
SMILESCC(Nc1ccc(C(N)=O)nn1)c1cccc(Br)c1
InChIInChI=1S/C13H13BrN4O/c1-8(9-3-2-4-10(14)7-9)16-12-6-5-11(13(15)19)17-18-12/h2-8H,1H3,(H2,15,19)(H,16,18)
InChIKeyNYVQBVCFWQSTII-UHFFFAOYSA-N
XLogP2.51
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[1-(3-bromophenyl)ethylamino]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

Related Compounds

6-[1-(3-bromophenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207097
3-amino-2-[1-(3-bromophenyl)ethylamino]benzamide
CID 115934504
2-[1-(3-bromophenyl)ethylamino]-5-chloropyridine-4-carboxylic acid
CID 114919409
N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
CID 55029103
N-[1-(3-bromophenyl)ethyl]pyridin-2-amine
CID 60969828
2-N-[1-(3-bromophenyl)ethyl]pyrazine-2,6-diamine
CID 78988750
N-[1-(3-bromophenyl)ethyl]-6-hydrazinylpyrazin-2-amine
CID 80905386
N-[1-(3-bromophenyl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 112726128
2-[1-(3-bromophenyl)ethylamino]-2-phenylacetamide
CID 56811839
(2S)-2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-phenylacetamide
CID 35643780
4-N-[1-(3-bromophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80808089
6-(2-phenylpropylamino)pyridazine-3-carboxamide
CID 112695970

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-bromophenyl)ethylamino]pyridazine-3-carboxamide?
The IUPAC name of 6-[1-(3-bromophenyl)ethylamino]pyridazine-3-carboxamide (CID 79099168) is 6-[1-(3-bromophenyl)ethylamino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[1-(3-bromophenyl)ethylamino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[1-(3-bromophenyl)ethylamino]pyridazine-3-carboxamide is CC(Nc1ccc(C(N)=O)nn1)c1cccc(Br)c1.
What is the InChIKey of 6-[1-(3-bromophenyl)ethylamino]pyridazine-3-carboxamide?
The InChIKey is NYVQBVCFWQSTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c1-8(9-3-2-4-10(14)7-9)16-12-6-5-11(13(15)19)17-18-12/h2-8H,1H3,(H2,15,19)(H,16,18).
What are the key properties of 6-[1-(3-bromophenyl)ethylamino]pyridazine-3-carboxamide?
6-[1-(3-bromophenyl)ethylamino]pyridazine-3-carboxamide has a molecular weight of 321.18 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-bromophenyl)ethylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 79099168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).