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

C12H14ClN3O — CID 66859065

IUPAC3-methoxy-4-(6-methylpyridazin-4-yl)aniline;hydrochloride
SMILESCOc1cc(N)ccc1-c1cnnc(C)c1.Cl
InChIInChI=1S/C12H13N3O.ClH/c1-8-5-9(7-14-15-8)11-4-3-10(13)6-12(11)16-2;/h3-7H,13H2,1-2H3;1H
InChIKeyJVIBNUMEFKZOBQ-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.46
Rot. Bonds2

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

3-methoxy-4-(6-methylpyridazin-4-yl)aniline;hydrochloride (PubChem CID 66859065) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 3-methoxy-4-(6-methylpyridazin-4-yl)aniline;hydrochloride.

Molecular Properties

Compound Name3-methoxy-4-(6-methylpyridazin-4-yl)aniline;hydrochloride
PubChem CID66859065
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name3-methoxy-4-(6-methylpyridazin-4-yl)aniline;hydrochloride
SMILESCOc1cc(N)ccc1-c1cnnc(C)c1.Cl
InChIInChI=1S/C12H13N3O.ClH/c1-8-5-9(7-14-15-8)11-4-3-10(13)6-12(11)16-2;/h3-7H,13H2,1-2H3;1H
InChIKeyJVIBNUMEFKZOBQ-UHFFFAOYSA-N
XLogP2.46
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.46
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;hydrochloride?
The IUPAC name of 3-methoxy-4-(6-methylpyridazin-4-yl)aniline;hydrochloride (CID 66859065) is 3-methoxy-4-(6-methylpyridazin-4-yl)aniline;hydrochloride.
What is the SMILES notation for 3-methoxy-4-(6-methylpyridazin-4-yl)aniline;hydrochloride?
The canonical SMILES for 3-methoxy-4-(6-methylpyridazin-4-yl)aniline;hydrochloride is COc1cc(N)ccc1-c1cnnc(C)c1.Cl.
What is the InChIKey of 3-methoxy-4-(6-methylpyridazin-4-yl)aniline;hydrochloride?
The InChIKey is JVIBNUMEFKZOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O.ClH/c1-8-5-9(7-14-15-8)11-4-3-10(13)6-12(11)16-2;/h3-7H,13H2,1-2H3;1H.
What are the key properties of 3-methoxy-4-(6-methylpyridazin-4-yl)aniline;hydrochloride?
3-methoxy-4-(6-methylpyridazin-4-yl)aniline;hydrochloride has a molecular weight of 251.72 g/mol, XLogP of 2.46, 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;hydrochloride is sourced from PubChem (CID 66859065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).