[1,3,5]triazino[1,2-a]benzimidazol-4-amine

C9H7N5 — CID 12666261

IUPAC[1,3,5]triazino[1,2-a]benzimidazol-4-amine
SMILESNc1ncnc2nc3ccccc3n12
InChIInChI=1S/C9H7N5/c10-8-11-5-12-9-13-6-3-1-2-4-7(6)14(8)9/h1-5H,(H2,10,11,12,13)
InChIKeyOTDQOKVNUPSUAI-UHFFFAOYSA-N
MW185.19 g/mol
LogP0.86
Rot. Bonds

About [1,3,5]triazino[1,2-a]benzimidazol-4-amine

[1,3,5]triazino[1,2-a]benzimidazol-4-amine (PubChem CID 12666261) has the molecular formula C9H7N5 and a molecular weight of 185.19 g/mol. Its IUPAC name is [1,3,5]triazino[1,2-a]benzimidazol-4-amine.

Molecular Properties

Compound Name[1,3,5]triazino[1,2-a]benzimidazol-4-amine
PubChem CID12666261
Molecular FormulaC9H7N5
Molecular Weight185.19 g/mol
Exact Mass185.07
IUPAC Name[1,3,5]triazino[1,2-a]benzimidazol-4-amine
SMILESNc1ncnc2nc3ccccc3n12
InChIInChI=1S/C9H7N5/c10-8-11-5-12-9-13-6-3-1-2-4-7(6)14(8)9/h1-5H,(H2,10,11,12,13)
InChIKeyOTDQOKVNUPSUAI-UHFFFAOYSA-N
XLogP0.86
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benzimidazole
CID 5798
Meiqx
CID 62275
Lerisetron
CID 65997
Glu-P 2
CID 49970
2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
CID 5025739
2-(2'-Pyridyl)benzimidazole
CID 70821
2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
Thiophanate-methyl metabolite M10
CID 135727399
1-ethyl-1H-1,3-benzodiazol-2-amine
CID 595193
2-Amino-1-methylbenzimidazole
CID 74187
1-methyl-2-(methylsulfanyl)-1H-1,3-benzodiazole
CID 415665
1-Benzyl-1H-benzimidazole
CID 563347

Frequently Asked Questions

What is the IUPAC name of [1,3,5]triazino[1,2-a]benzimidazol-4-amine?
The IUPAC name of [1,3,5]triazino[1,2-a]benzimidazol-4-amine (CID 12666261) is [1,3,5]triazino[1,2-a]benzimidazol-4-amine.
What is the SMILES notation for [1,3,5]triazino[1,2-a]benzimidazol-4-amine?
The canonical SMILES for [1,3,5]triazino[1,2-a]benzimidazol-4-amine is Nc1ncnc2nc3ccccc3n12.
What is the InChIKey of [1,3,5]triazino[1,2-a]benzimidazol-4-amine?
The InChIKey is OTDQOKVNUPSUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5/c10-8-11-5-12-9-13-6-3-1-2-4-7(6)14(8)9/h1-5H,(H2,10,11,12,13).
What are the key properties of [1,3,5]triazino[1,2-a]benzimidazol-4-amine?
[1,3,5]triazino[1,2-a]benzimidazol-4-amine has a molecular weight of 185.19 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3,5]triazino[1,2-a]benzimidazol-4-amine is sourced from PubChem (CID 12666261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).