6-(5-bromo-2-methoxyphenyl)-4,5-dihydropyridazin-3-amine

C11H12BrN3O — CID 64687503

IUPAC6-(5-bromo-2-methoxyphenyl)-4,5-dihydropyridazin-3-amine
SMILESCOc1ccc(Br)cc1C1=NN=C(N)CC1
InChIInChI=1S/C11H12BrN3O/c1-16-10-4-2-7(12)6-8(10)9-3-5-11(13)15-14-9/h2,4,6H,3,5H2,1H3,(H2,13,15)
InChIKeyMIHBWXLTQVLOAM-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.31
Rot. Bonds2

About 6-(5-bromo-2-methoxyphenyl)-4,5-dihydropyridazin-3-amine

6-(5-bromo-2-methoxyphenyl)-4,5-dihydropyridazin-3-amine (PubChem CID 64687503) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 6-(5-bromo-2-methoxyphenyl)-4,5-dihydropyridazin-3-amine.

Molecular Properties

Compound Name6-(5-bromo-2-methoxyphenyl)-4,5-dihydropyridazin-3-amine
PubChem CID64687503
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name6-(5-bromo-2-methoxyphenyl)-4,5-dihydropyridazin-3-amine
SMILESCOc1ccc(Br)cc1C1=NN=C(N)CC1
InChIInChI=1S/C11H12BrN3O/c1-16-10-4-2-7(12)6-8(10)9-3-5-11(13)15-14-9/h2,4,6H,3,5H2,1H3,(H2,13,15)
InChIKeyMIHBWXLTQVLOAM-UHFFFAOYSA-N
XLogP2.31
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-methoxyphenyl)-4,5-dihydropyridazin-3-amine?
The IUPAC name of 6-(5-bromo-2-methoxyphenyl)-4,5-dihydropyridazin-3-amine (CID 64687503) is 6-(5-bromo-2-methoxyphenyl)-4,5-dihydropyridazin-3-amine.
What is the SMILES notation for 6-(5-bromo-2-methoxyphenyl)-4,5-dihydropyridazin-3-amine?
The canonical SMILES for 6-(5-bromo-2-methoxyphenyl)-4,5-dihydropyridazin-3-amine is COc1ccc(Br)cc1C1=NN=C(N)CC1.
What is the InChIKey of 6-(5-bromo-2-methoxyphenyl)-4,5-dihydropyridazin-3-amine?
The InChIKey is MIHBWXLTQVLOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-16-10-4-2-7(12)6-8(10)9-3-5-11(13)15-14-9/h2,4,6H,3,5H2,1H3,(H2,13,15).
What are the key properties of 6-(5-bromo-2-methoxyphenyl)-4,5-dihydropyridazin-3-amine?
6-(5-bromo-2-methoxyphenyl)-4,5-dihydropyridazin-3-amine has a molecular weight of 282.14 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-methoxyphenyl)-4,5-dihydropyridazin-3-amine is sourced from PubChem (CID 64687503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).