1,2,3,4-Tetrahydropyrazino[1,2-a]benzimidazole
Basic information
- CAS
4744-53-0- Standard SMILES
c1ccc2c(c1)nc1n2CCNC1- InChIKey
CVGPZQMGLKRVJV-UHFFFAOYSA-N- Molecular formula
- C10H11N3
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.09529736
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydropyrazino[1,2-a]benzimidazole
- IUPAC
- 1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole
- English name
- Pyrazino[1,2-a]benzimidazole, 1,2,3,4-tetrahydro- (6CI,8CI,9CI)
- Molecular formula
- C10H11N3
- Molecular weight
- 173.21
Names & synonyms
4744-53-01,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole1,2,3,4-Tetrahydropyrazino(1,2-a)benzimidazoleRefChem:2145091,8,11-Triazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8-tetraeneCHEMBL65031,2,3,4-tetrahydrobenzo[4,5]imidazo[1,2-a]pyrazineNSC700996Pyrazino[1,2-a]benzimidazole, 1,2,3,4-tetrahydro- (6CI,8CI,9CI)Oprea1_448969Oprea1_753230SCHEMBL839815
Show more names
1,2,3,4-TETRAHYDRO-PYRAZINO[1,2-A]BENZIMIDAZOLEPyrazino[1,2-a]benzimidazole, 1,2,3,4-tetrahydro-
SCHEMBL2764019SCHEMBL27640221,2,3,4-Tetrahydro-benzo[4,5]imidazo[1,2-a]pyrazineSCHEMBL29539173DTXSID601249623HMS1607D02BDBM50108305AKOS005214675
Database identifiers
- CAS
4744-53-0- PubChem CID
- 395901
- DTXSID
DTXSID601249623- ChEMBL
CHEMBL6503- Nikkaji
- J1.675.184G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 29.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Melting point
- 130 · 130-131 °C
- Boiling point
- 393.5 · 393.5±35.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 7.24 · 7.24±0.20(Predicted)
Chemistry & industry
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