[6-(3H-benzimidazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine

C13H11N7 — CID 116822398

IUPAC[6-(3H-benzimidazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine
SMILESNCc1nnc2ccc(-c3ccc4nc[nH]c4c3)nn12
InChIInChI=1S/C13H11N7/c14-6-13-18-17-12-4-3-9(19-20(12)13)8-1-2-10-11(5-8)16-7-15-10/h1-5,7H,6,14H2,(H,15,16)
InChIKeyYJZIGJIPIRYNDA-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.13
Rot. Bonds2

About [6-(3H-benzimidazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine

[6-(3H-benzimidazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine (PubChem CID 116822398) has the molecular formula C13H11N7 and a molecular weight of 265.28 g/mol. Its IUPAC name is [6-(3H-benzimidazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine.

Molecular Properties

Compound Name[6-(3H-benzimidazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine
PubChem CID116822398
Molecular FormulaC13H11N7
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name[6-(3H-benzimidazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine
SMILESNCc1nnc2ccc(-c3ccc4nc[nH]c4c3)nn12
InChIInChI=1S/C13H11N7/c14-6-13-18-17-12-4-3-9(19-20(12)13)8-1-2-10-11(5-8)16-7-15-10/h1-5,7H,6,14H2,(H,15,16)
InChIKeyYJZIGJIPIRYNDA-UHFFFAOYSA-N
XLogP1.13
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[6-(3H-benzimidazol-5-yl)pyridazin-3-yl]-N'-methylethane-1,2-diamine
CID 116973259
(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine
CID 62043689
6-(2-methyltetrazol-5-yl)-1H-benzimidazole
CID 91211393
2-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 116822333
6-(1-ethyltriazol-4-yl)-1H-benzimidazole
CID 118693287
N-[(6-ethoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 91819041
5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-amine
CID 82491411
[6-(3-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine
CID 116822418
6-(2-chloropyrimidin-4-yl)-1H-benzimidazole
CID 116904383
2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892604
6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 24965874
2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid
CID 82167208

Frequently Asked Questions

What is the IUPAC name of [6-(3H-benzimidazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine?
The IUPAC name of [6-(3H-benzimidazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine (CID 116822398) is [6-(3H-benzimidazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine.
What is the SMILES notation for [6-(3H-benzimidazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine?
The canonical SMILES for [6-(3H-benzimidazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine is NCc1nnc2ccc(-c3ccc4nc[nH]c4c3)nn12.
What is the InChIKey of [6-(3H-benzimidazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine?
The InChIKey is YJZIGJIPIRYNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7/c14-6-13-18-17-12-4-3-9(19-20(12)13)8-1-2-10-11(5-8)16-7-15-10/h1-5,7H,6,14H2,(H,15,16).
What are the key properties of [6-(3H-benzimidazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine?
[6-(3H-benzimidazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine has a molecular weight of 265.28 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3H-benzimidazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine is sourced from PubChem (CID 116822398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).