4,5-dimethyl-6-(thiophen-2-ylmethylimino)-4,5-dihydro-1H-pyridazin-3-amine

C11H16N4S — CID 137117671

IUPAC4,5-dimethyl-6-(thiophen-2-ylmethylimino)-4,5-dihydro-1H-pyridazin-3-amine
SMILESCC1C(N)=NN/C(=N\Cc2cccs2)C1C
InChIInChI=1S/C11H16N4S/c1-7-8(2)11(15-14-10(7)12)13-6-9-4-3-5-16-9/h3-5,7-8H,6H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyKOFOMAVUZKXGNS-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.79
Rot. Bonds2

About 4,5-dimethyl-6-(thiophen-2-ylmethylimino)-4,5-dihydro-1H-pyridazin-3-amine

4,5-dimethyl-6-(thiophen-2-ylmethylimino)-4,5-dihydro-1H-pyridazin-3-amine (PubChem CID 137117671) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 4,5-dimethyl-6-(thiophen-2-ylmethylimino)-4,5-dihydro-1H-pyridazin-3-amine.

Molecular Properties

Compound Name4,5-dimethyl-6-(thiophen-2-ylmethylimino)-4,5-dihydro-1H-pyridazin-3-amine
PubChem CID137117671
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name4,5-dimethyl-6-(thiophen-2-ylmethylimino)-4,5-dihydro-1H-pyridazin-3-amine
SMILESCC1C(N)=NN/C(=N\Cc2cccs2)C1C
InChIInChI=1S/C11H16N4S/c1-7-8(2)11(15-14-10(7)12)13-6-9-4-3-5-16-9/h3-5,7-8H,6H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyKOFOMAVUZKXGNS-UHFFFAOYSA-N
XLogP1.79
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,N,2-trimethyl-6-(thiophen-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 136590974
ethanamine;ethane;thiophen-2-ylmethanol
CID 143500491
1-(2-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone
CID 116592024
7,9-dimethyl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79520782
N'-ethyl-2-thiophen-2-ylethanimidamide
CID 63181752
N'-(thiophen-2-ylmethyl)benzenecarboximidamide
CID 62049809
6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 80774344
2-methyl-1-thiophen-2-ylpropan-2-amine
CID 13096683
1-amino-3-ethyl-2-(thiophen-2-ylmethyl)guanidine
CID 116513135
2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61437146
1,3-diethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 110914274
1-amino-5-thiophen-2-ylpentan-2-ol
CID 54294228

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-(thiophen-2-ylmethylimino)-4,5-dihydro-1H-pyridazin-3-amine?
The IUPAC name of 4,5-dimethyl-6-(thiophen-2-ylmethylimino)-4,5-dihydro-1H-pyridazin-3-amine (CID 137117671) is 4,5-dimethyl-6-(thiophen-2-ylmethylimino)-4,5-dihydro-1H-pyridazin-3-amine.
What is the SMILES notation for 4,5-dimethyl-6-(thiophen-2-ylmethylimino)-4,5-dihydro-1H-pyridazin-3-amine?
The canonical SMILES for 4,5-dimethyl-6-(thiophen-2-ylmethylimino)-4,5-dihydro-1H-pyridazin-3-amine is CC1C(N)=NN/C(=N\Cc2cccs2)C1C.
What is the InChIKey of 4,5-dimethyl-6-(thiophen-2-ylmethylimino)-4,5-dihydro-1H-pyridazin-3-amine?
The InChIKey is KOFOMAVUZKXGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-7-8(2)11(15-14-10(7)12)13-6-9-4-3-5-16-9/h3-5,7-8H,6H2,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of 4,5-dimethyl-6-(thiophen-2-ylmethylimino)-4,5-dihydro-1H-pyridazin-3-amine?
4,5-dimethyl-6-(thiophen-2-ylmethylimino)-4,5-dihydro-1H-pyridazin-3-amine has a molecular weight of 236.34 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-(thiophen-2-ylmethylimino)-4,5-dihydro-1H-pyridazin-3-amine is sourced from PubChem (CID 137117671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).