3-methoxy-4-(6-methylpyridazin-4-yl)aniline

C12H13N3O — CID 66859066

IUPAC3-methoxy-4-(6-methylpyridazin-4-yl)aniline
SMILESCOc1cc(N)ccc1-c1cnnc(C)c1
InChIInChI=1S/C12H13N3O/c1-8-5-9(7-14-15-8)11-4-3-10(13)6-12(11)16-2/h3-7H,13H2,1-2H3
InChIKeyDHFUENWNKBSPQY-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.04
Rot. Bonds2

About 3-methoxy-4-(6-methylpyridazin-4-yl)aniline

3-methoxy-4-(6-methylpyridazin-4-yl)aniline (PubChem CID 66859066) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-methoxy-4-(6-methylpyridazin-4-yl)aniline.

Molecular Properties

Compound Name3-methoxy-4-(6-methylpyridazin-4-yl)aniline
PubChem CID66859066
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-methoxy-4-(6-methylpyridazin-4-yl)aniline
SMILESCOc1cc(N)ccc1-c1cnnc(C)c1
InChIInChI=1S/C12H13N3O/c1-8-5-9(7-14-15-8)11-4-3-10(13)6-12(11)16-2/h3-7H,13H2,1-2H3
InChIKeyDHFUENWNKBSPQY-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
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 3-methoxy-4-(6-methylpyridazin-4-yl)aniline?
The IUPAC name of 3-methoxy-4-(6-methylpyridazin-4-yl)aniline (CID 66859066) is 3-methoxy-4-(6-methylpyridazin-4-yl)aniline.
What is the SMILES notation for 3-methoxy-4-(6-methylpyridazin-4-yl)aniline?
The canonical SMILES for 3-methoxy-4-(6-methylpyridazin-4-yl)aniline is COc1cc(N)ccc1-c1cnnc(C)c1.
What is the InChIKey of 3-methoxy-4-(6-methylpyridazin-4-yl)aniline?
The InChIKey is DHFUENWNKBSPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-5-9(7-14-15-8)11-4-3-10(13)6-12(11)16-2/h3-7H,13H2,1-2H3.
What are the key properties of 3-methoxy-4-(6-methylpyridazin-4-yl)aniline?
3-methoxy-4-(6-methylpyridazin-4-yl)aniline has a molecular weight of 215.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(6-methylpyridazin-4-yl)aniline is sourced from PubChem (CID 66859066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).