[[(6-amino-4-methyl-2-pyridinyl)amino]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-oxo-λ6-sulfanylidene]oxidanium

C16H19N6O2S+ — CID 143305050

IUPAC[[(6-amino-4-methyl-2-pyridinyl)amino]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-oxo-λ6-sulfanylidene]oxidanium
SMILES[H][O+]=S(=O)(Nc1cc(C)cc(N)n1)N1CCn2c(nc3ccccc32)C1
InChIInChI=1S/C16H18N6O2S/c1-11-8-14(17)19-15(9-11)20-25(23,24)21-6-7-22-13-5-3-2-4-12(13)18-16(22)10-21/h2-5,8-9H,6-7,10H2,1H3,(H3,17,19,20,23,24)/p+1
InChIKeyYBFLDXHYNRVTAR-UHFFFAOYSA-O
MW359.44 g/mol
LogP1.65
Rot. Bonds3

About [[(6-amino-4-methyl-2-pyridinyl)amino]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-oxo-λ6-sulfanylidene]oxidanium

[[(6-amino-4-methyl-2-pyridinyl)amino]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-oxo-λ6-sulfanylidene]oxidanium (PubChem CID 143305050) has the molecular formula C16H19N6O2S+ and a molecular weight of 359.44 g/mol. Its IUPAC name is [[(6-amino-4-methyl-2-pyridinyl)amino]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-oxo-λ6-sulfanylidene]oxidanium.

Molecular Properties

Compound Name[[(6-amino-4-methyl-2-pyridinyl)amino]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-oxo-λ6-sulfanylidene]oxidanium
PubChem CID143305050
Molecular FormulaC16H19N6O2S+
Molecular Weight359.44 g/mol
Exact Mass359.13
IUPAC Name[[(6-amino-4-methyl-2-pyridinyl)amino]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-oxo-λ6-sulfanylidene]oxidanium
SMILES[H][O+]=S(=O)(Nc1cc(C)cc(N)n1)N1CCn2c(nc3ccccc32)C1
InChIInChI=1S/C16H18N6O2S/c1-11-8-14(17)19-15(9-11)20-25(23,24)21-6-7-22-13-5-3-2-4-12(13)18-16(22)10-21/h2-5,8-9H,6-7,10H2,1H3,(H3,17,19,20,23,24)/p+1
InChIKeyYBFLDXHYNRVTAR-UHFFFAOYSA-O
XLogP1.65
TPSA110.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
CID 5308283
2-(4-ethylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
CID 110872466
2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
CID 20866198
N-[4-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-ylsulfonyl)phenyl]acetamide
CID 155900012
2-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)acetamide
CID 146065629
N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-4-methylbenzamide
CID 50749494
(1S,2R,3R)-1-[(7-fluoro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)sulfonylamino]-2-methyl-3-phenylcyclopropane-1-carboxylic acid;hydrochloride
CID 52951592
N-(2,6-dimethylphenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbothioamide
CID 46256397
3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl-(3,5-dimethoxyphenyl)methanone
CID 110867060
N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-methylbenzamide
CID 50749480
3-(benzenesulfonyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)propan-1-one
CID 20866205
2-methoxy-5-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)aniline
CID 29134829

Frequently Asked Questions

What is the IUPAC name of [[(6-amino-4-methyl-2-pyridinyl)amino]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-oxo-λ6-sulfanylidene]oxidanium?
The IUPAC name of [[(6-amino-4-methyl-2-pyridinyl)amino]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-oxo-λ6-sulfanylidene]oxidanium (CID 143305050) is [[(6-amino-4-methyl-2-pyridinyl)amino]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-oxo-λ6-sulfanylidene]oxidanium.
What is the SMILES notation for [[(6-amino-4-methyl-2-pyridinyl)amino]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-oxo-λ6-sulfanylidene]oxidanium?
The canonical SMILES for [[(6-amino-4-methyl-2-pyridinyl)amino]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-oxo-λ6-sulfanylidene]oxidanium is [H][O+]=S(=O)(Nc1cc(C)cc(N)n1)N1CCn2c(nc3ccccc32)C1.
What is the InChIKey of [[(6-amino-4-methyl-2-pyridinyl)amino]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-oxo-λ6-sulfanylidene]oxidanium?
The InChIKey is YBFLDXHYNRVTAR-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18N6O2S/c1-11-8-14(17)19-15(9-11)20-25(23,24)21-6-7-22-13-5-3-2-4-12(13)18-16(22)10-21/h2-5,8-9H,6-7,10H2,1H3,(H3,17,19,20,23,24)/p+1.
What are the key properties of [[(6-amino-4-methyl-2-pyridinyl)amino]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-oxo-λ6-sulfanylidene]oxidanium?
[[(6-amino-4-methyl-2-pyridinyl)amino]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-oxo-λ6-sulfanylidene]oxidanium has a molecular weight of 359.44 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[(6-amino-4-methyl-2-pyridinyl)amino]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-oxo-λ6-sulfanylidene]oxidanium is sourced from PubChem (CID 143305050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).