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

C11H11N3 — CID 69120674

IUPAC3-(6-methylpyridazin-3-yl)aniline
SMILESCc1ccc(-c2cccc(N)c2)nn1
InChIInChI=1S/C11H11N3/c1-8-5-6-11(14-13-8)9-3-2-4-10(12)7-9/h2-7H,12H2,1H3
InChIKeyABVPLXDDQNRJIR-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.03
Rot. Bonds1

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

3-(6-methylpyridazin-3-yl)aniline (PubChem CID 69120674) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-(6-methylpyridazin-3-yl)aniline.

Molecular Properties

Compound Name3-(6-methylpyridazin-3-yl)aniline
PubChem CID69120674
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name3-(6-methylpyridazin-3-yl)aniline
SMILESCc1ccc(-c2cccc(N)c2)nn1
InChIInChI=1S/C11H11N3/c1-8-5-6-11(14-13-8)9-3-2-4-10(12)7-9/h2-7H,12H2,1H3
InChIKeyABVPLXDDQNRJIR-UHFFFAOYSA-N
XLogP2.03
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(6-chloropyridazin-3-yl)aniline
CID 14280295
3-(2-ethyl-6-methylpyrimidin-4-yl)aniline
CID 105466933
3-[6-(3-aminophenyl)-3-pyridinyl]aniline
CID 141227137
3-methyl-6-pyridin-3-ylpyridazine
CID 89161646
3-(1-methyltriazol-4-yl)aniline
CID 89194018
3-(3-aminophenyl)aniline;sulfane
CID 175159845
3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
CID 107504187
6-(3-aminophenyl)-N-benzyl-N-ethylpyridazin-3-amine
CID 58525230
3,5-bis(3-aminophenyl)-1,2,4-triazol-4-amine
CID 5302316
3-[6-(4-methylphenyl)pyrazin-2-yl]aniline
CID 126474004
3-(thiadiazol-4-yl)aniline
CID 3164938
6-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine
CID 170567486

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylpyridazin-3-yl)aniline?
The IUPAC name of 3-(6-methylpyridazin-3-yl)aniline (CID 69120674) is 3-(6-methylpyridazin-3-yl)aniline.
What is the SMILES notation for 3-(6-methylpyridazin-3-yl)aniline?
The canonical SMILES for 3-(6-methylpyridazin-3-yl)aniline is Cc1ccc(-c2cccc(N)c2)nn1.
What is the InChIKey of 3-(6-methylpyridazin-3-yl)aniline?
The InChIKey is ABVPLXDDQNRJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-8-5-6-11(14-13-8)9-3-2-4-10(12)7-9/h2-7H,12H2,1H3.
What are the key properties of 3-(6-methylpyridazin-3-yl)aniline?
3-(6-methylpyridazin-3-yl)aniline has a molecular weight of 185.23 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylpyridazin-3-yl)aniline is sourced from PubChem (CID 69120674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).