Basic information
- CAS
275-94-5- Standard SMILES
c1ccc2ncnc-2cc1- InChIKey
HPGSSIJHLUDJFV-UHFFFAOYSA-N- Molecular formula
- C8H6N2
- Average molar mass
- 130.15 g/mol
- Monoisotopic mass
- 130.05309819
Overview
structure in first source
Names & identifiers
- Preferred name
- 1,3-Diazaazulene
- IUPAC
- cyclohepta[d]imidazole
- English name
- Cycloheptimidazole
- Molecular formula
- C8H6N2
- Molecular weight
- 130.15
Names & synonyms
1,3-diazaazulene1,3-diaza-azuleneRefChem:906872Cycloheptimidazolecyclohepta[d]imidazole275-94-5cyclohept[d]imidazoleSCHEMBL1133525SCHEMBL11218954DTXSID20348532HPGSSIJHLUDJFV-UHFFFAOYSA-NInChI=1/C8H6N2/c1-2-4-7-8(5-3-1)10-6-9-7/h1-6
Database identifiers
- CAS
275-94-5- PubChem CID
- 638009
- DTXSID
DTXSID20348532- Nikkaji
- J688.989A、J79.562C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 102
Related reactions
4 records
Compound notes
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