[3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine

C14H15N5OS — CID 80515683

IUPAC[3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine
SMILESCCOc1ccc2nc(Sc3nnccc3CN)[nH]c2c1
InChIInChI=1S/C14H15N5OS/c1-2-20-10-3-4-11-12(7-10)18-14(17-11)21-13-9(8-15)5-6-16-19-13/h3-7H,2,8,15H2,1H3,(H,17,18)
InChIKeyYENXUBXKERPJPA-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.36
Rot. Bonds5

About [3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine

[3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine (PubChem CID 80515683) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is [3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine
PubChem CID80515683
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name[3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine
SMILESCCOc1ccc2nc(Sc3nnccc3CN)[nH]c2c1
InChIInChI=1S/C14H15N5OS/c1-2-20-10-3-4-11-12(7-10)18-14(17-11)21-13-9(8-15)5-6-16-19-13/h3-7H,2,8,15H2,1H3,(H,17,18)
InChIKeyYENXUBXKERPJPA-UHFFFAOYSA-N
XLogP2.36
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyrazin-2-amine
CID 102988673
6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole
CID 119085221
2-(6-chloropyridazin-3-yl)sulfanyl-6-ethoxy-1H-benzimidazole
CID 43260467
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-5-methylpyridin-4-amine
CID 83267069
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride
CID 5344707
2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-6-ethoxy-1H-benzimidazole
CID 79080951
6-ethoxy-2-(pyrimidin-2-ylmethylsulfanyl)-1H-benzimidazole
CID 99794984
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid
CID 159344555
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N,N-diethylacetamide
CID 4816437
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylaniline;hydrate
CID 67570619
6-ethoxy-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1H-benzimidazole
CID 5169709
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N'-hydroxypropanimidamide
CID 43187638

Frequently Asked Questions

What is the IUPAC name of [3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine?
The IUPAC name of [3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine (CID 80515683) is [3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine.
What is the SMILES notation for [3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine?
The canonical SMILES for [3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine is CCOc1ccc2nc(Sc3nnccc3CN)[nH]c2c1.
What is the InChIKey of [3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine?
The InChIKey is YENXUBXKERPJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-2-20-10-3-4-11-12(7-10)18-14(17-11)21-13-9(8-15)5-6-16-19-13/h3-7H,2,8,15H2,1H3,(H,17,18).
What are the key properties of [3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine?
[3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine has a molecular weight of 301.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine is sourced from PubChem (CID 80515683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).