2-methyl-4-(6-methylpyridazin-3-yl)oxyaniline

C12H13N3O — CID 61311194

IUPAC2-methyl-4-(6-methylpyridazin-3-yl)oxyaniline
SMILESCc1ccc(Oc2ccc(N)c(C)c2)nn1
InChIInChI=1S/C12H13N3O/c1-8-7-10(4-5-11(8)13)16-12-6-3-9(2)14-15-12/h3-7H,13H2,1-2H3
InChIKeyLOPQEOSHENFKRR-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.47
Rot. Bonds2

About 2-methyl-4-(6-methylpyridazin-3-yl)oxyaniline

2-methyl-4-(6-methylpyridazin-3-yl)oxyaniline (PubChem CID 61311194) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-methyl-4-(6-methylpyridazin-3-yl)oxyaniline.

Molecular Properties

Compound Name2-methyl-4-(6-methylpyridazin-3-yl)oxyaniline
PubChem CID61311194
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-methyl-4-(6-methylpyridazin-3-yl)oxyaniline
SMILESCc1ccc(Oc2ccc(N)c(C)c2)nn1
InChIInChI=1S/C12H13N3O/c1-8-7-10(4-5-11(8)13)16-12-6-3-9(2)14-15-12/h3-7H,13H2,1-2H3
InChIKeyLOPQEOSHENFKRR-UHFFFAOYSA-N
XLogP2.47
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(6-methylpyridazin-3-yl)oxyaniline?
The IUPAC name of 2-methyl-4-(6-methylpyridazin-3-yl)oxyaniline (CID 61311194) is 2-methyl-4-(6-methylpyridazin-3-yl)oxyaniline.
What is the SMILES notation for 2-methyl-4-(6-methylpyridazin-3-yl)oxyaniline?
The canonical SMILES for 2-methyl-4-(6-methylpyridazin-3-yl)oxyaniline is Cc1ccc(Oc2ccc(N)c(C)c2)nn1.
What is the InChIKey of 2-methyl-4-(6-methylpyridazin-3-yl)oxyaniline?
The InChIKey is LOPQEOSHENFKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-7-10(4-5-11(8)13)16-12-6-3-9(2)14-15-12/h3-7H,13H2,1-2H3.
What are the key properties of 2-methyl-4-(6-methylpyridazin-3-yl)oxyaniline?
2-methyl-4-(6-methylpyridazin-3-yl)oxyaniline has a molecular weight of 215.26 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(6-methylpyridazin-3-yl)oxyaniline is sourced from PubChem (CID 61311194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).