6-amino-N-(2,4-dibromophenyl)pyridazine-3-carboxamide

C11H8Br2N4O — CID 62187350

IUPAC6-amino-N-(2,4-dibromophenyl)pyridazine-3-carboxamide
SMILESNc1ccc(C(=O)Nc2ccc(Br)cc2Br)nn1
InChIInChI=1S/C11H8Br2N4O/c12-6-1-2-8(7(13)5-6)15-11(18)9-3-4-10(14)17-16-9/h1-5H,(H2,14,17)(H,15,18)
InChIKeyLLCKWQGTVJNMDC-UHFFFAOYSA-N
MW372.02 g/mol
LogP2.84
Rot. Bonds2

About 6-amino-N-(2,4-dibromophenyl)pyridazine-3-carboxamide

6-amino-N-(2,4-dibromophenyl)pyridazine-3-carboxamide (PubChem CID 62187350) has the molecular formula C11H8Br2N4O and a molecular weight of 372.02 g/mol. Its IUPAC name is 6-amino-N-(2,4-dibromophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2,4-dibromophenyl)pyridazine-3-carboxamide
PubChem CID62187350
Molecular FormulaC11H8Br2N4O
Molecular Weight372.02 g/mol
Exact Mass369.91
IUPAC Name6-amino-N-(2,4-dibromophenyl)pyridazine-3-carboxamide
SMILESNc1ccc(C(=O)Nc2ccc(Br)cc2Br)nn1
InChIInChI=1S/C11H8Br2N4O/c12-6-1-2-8(7(13)5-6)15-11(18)9-3-4-10(14)17-16-9/h1-5H,(H2,14,17)(H,15,18)
InChIKeyLLCKWQGTVJNMDC-UHFFFAOYSA-N
XLogP2.84
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.02
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2,4-dibromophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-amino-N-(2,4-dibromophenyl)pyridazine-3-carboxamide (CID 62187350) is 6-amino-N-(2,4-dibromophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(2,4-dibromophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-amino-N-(2,4-dibromophenyl)pyridazine-3-carboxamide is Nc1ccc(C(=O)Nc2ccc(Br)cc2Br)nn1.
What is the InChIKey of 6-amino-N-(2,4-dibromophenyl)pyridazine-3-carboxamide?
The InChIKey is LLCKWQGTVJNMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N4O/c12-6-1-2-8(7(13)5-6)15-11(18)9-3-4-10(14)17-16-9/h1-5H,(H2,14,17)(H,15,18).
What are the key properties of 6-amino-N-(2,4-dibromophenyl)pyridazine-3-carboxamide?
6-amino-N-(2,4-dibromophenyl)pyridazine-3-carboxamide has a molecular weight of 372.02 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2,4-dibromophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 62187350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).