6-(4-methoxyphenyl)-4-methyl-4,5-dihydropyridazin-3-amine

C12H15N3O — CID 64692181

IUPAC6-(4-methoxyphenyl)-4-methyl-4,5-dihydropyridazin-3-amine
SMILESCOc1ccc(C2=NN=C(N)C(C)C2)cc1
InChIInChI=1S/C12H15N3O/c1-8-7-11(14-15-12(8)13)9-3-5-10(16-2)6-4-9/h3-6,8H,7H2,1-2H3,(H2,13,15)
InChIKeyDKRCDGHYNUQOLK-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.80
Rot. Bonds2

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

6-(4-methoxyphenyl)-4-methyl-4,5-dihydropyridazin-3-amine (PubChem CID 64692181) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-4-methyl-4,5-dihydropyridazin-3-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-4-methyl-4,5-dihydropyridazin-3-amine
PubChem CID64692181
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name6-(4-methoxyphenyl)-4-methyl-4,5-dihydropyridazin-3-amine
SMILESCOc1ccc(C2=NN=C(N)C(C)C2)cc1
InChIInChI=1S/C12H15N3O/c1-8-7-11(14-15-12(8)13)9-3-5-10(16-2)6-4-9/h3-6,8H,7H2,1-2H3,(H2,13,15)
InChIKeyDKRCDGHYNUQOLK-UHFFFAOYSA-N
XLogP1.80
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-4-methyl-4,5-dihydropyridazin-3-amine?
The IUPAC name of 6-(4-methoxyphenyl)-4-methyl-4,5-dihydropyridazin-3-amine (CID 64692181) is 6-(4-methoxyphenyl)-4-methyl-4,5-dihydropyridazin-3-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-4-methyl-4,5-dihydropyridazin-3-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-4-methyl-4,5-dihydropyridazin-3-amine is COc1ccc(C2=NN=C(N)C(C)C2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-4-methyl-4,5-dihydropyridazin-3-amine?
The InChIKey is DKRCDGHYNUQOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-7-11(14-15-12(8)13)9-3-5-10(16-2)6-4-9/h3-6,8H,7H2,1-2H3,(H2,13,15).
What are the key properties of 6-(4-methoxyphenyl)-4-methyl-4,5-dihydropyridazin-3-amine?
6-(4-methoxyphenyl)-4-methyl-4,5-dihydropyridazin-3-amine has a molecular weight of 217.27 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-4-methyl-4,5-dihydropyridazin-3-amine is sourced from PubChem (CID 64692181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).