1-(3-ethyl-6-methylpyridazin-4-yl)-4-methylsulfonylbutan-1-amine

C12H21N3O2S — CID 105113206

IUPAC1-(3-ethyl-6-methylpyridazin-4-yl)-4-methylsulfonylbutan-1-amine
SMILESCCc1nnc(C)cc1C(N)CCCS(C)(=O)=O
InChIInChI=1S/C12H21N3O2S/c1-4-12-10(8-9(2)14-15-12)11(13)6-5-7-18(3,16)17/h8,11H,4-7,13H2,1-3H3
InChIKeyNXHUKVGIRQQDHF-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.17
Rot. Bonds6

About 1-(3-ethyl-6-methylpyridazin-4-yl)-4-methylsulfonylbutan-1-amine

1-(3-ethyl-6-methylpyridazin-4-yl)-4-methylsulfonylbutan-1-amine (PubChem CID 105113206) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-(3-ethyl-6-methylpyridazin-4-yl)-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-6-methylpyridazin-4-yl)-4-methylsulfonylbutan-1-amine
PubChem CID105113206
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-(3-ethyl-6-methylpyridazin-4-yl)-4-methylsulfonylbutan-1-amine
SMILESCCc1nnc(C)cc1C(N)CCCS(C)(=O)=O
InChIInChI=1S/C12H21N3O2S/c1-4-12-10(8-9(2)14-15-12)11(13)6-5-7-18(3,16)17/h8,11H,4-7,13H2,1-3H3
InChIKeyNXHUKVGIRQQDHF-UHFFFAOYSA-N
XLogP1.17
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethyl-6-methylpyridazin-4-yl)-4-methoxy-4-methylpentan-1-amine
CID 103031442
1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 105112925
2-cyclopropyl-1-(3-ethyl-6-methylpyridazin-4-yl)ethanamine
CID 105152857
1-(3-ethyl-6-methylpyridazin-4-yl)-4-(oxolan-2-yl)butan-1-amine
CID 105156648
1-(3-ethyl-6-methylpyridazin-4-yl)-2-methylpentan-1-amine
CID 107894057
1-(3-ethyl-6-methylpyridazin-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105187716
1-(2,4-difluoro-5-methylphenyl)-4-methylsulfonylbutan-1-amine
CID 115820220
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(4-iodophenyl)ethanamine
CID 105151946
4-methylsulfonyl-1-(4-methylthiadiazol-5-yl)butan-1-amine
CID 105113497
2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanamine
CID 105161642
(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanamine
CID 105154023
4-methylsulfonyl-1-naphthalen-1-ylbutan-1-amine
CID 63192592

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-4-methylsulfonylbutan-1-amine?
The IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-4-methylsulfonylbutan-1-amine (CID 105113206) is 1-(3-ethyl-6-methylpyridazin-4-yl)-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for 1-(3-ethyl-6-methylpyridazin-4-yl)-4-methylsulfonylbutan-1-amine?
The canonical SMILES for 1-(3-ethyl-6-methylpyridazin-4-yl)-4-methylsulfonylbutan-1-amine is CCc1nnc(C)cc1C(N)CCCS(C)(=O)=O.
What is the InChIKey of 1-(3-ethyl-6-methylpyridazin-4-yl)-4-methylsulfonylbutan-1-amine?
The InChIKey is NXHUKVGIRQQDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-12-10(8-9(2)14-15-12)11(13)6-5-7-18(3,16)17/h8,11H,4-7,13H2,1-3H3.
What are the key properties of 1-(3-ethyl-6-methylpyridazin-4-yl)-4-methylsulfonylbutan-1-amine?
1-(3-ethyl-6-methylpyridazin-4-yl)-4-methylsulfonylbutan-1-amine has a molecular weight of 271.39 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-6-methylpyridazin-4-yl)-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 105113206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).