Basic information
- CAS
91477-37-1- Standard SMILES
C(CCc1nnc2c(n1)CCCC2)Cc1nnc2c(n1)CCCC2- InChIKey
ZRWCAMFKPMJKTC-UHFFFAOYSA-N- Molecular formula
- C18H24N6
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.20624479
Names & identifiers
- Preferred name
- 3-(4-(5,6,7,8-Tetrahydro-1,2,4-benzotriazin-3-yl)butyl)-5,6,7,8-tetrahydro-1,2,4-benzotriazine
- IUPAC
- 3-[4-(5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-yl)butyl]-5,6,7,8-tetrahydro-1,2,4-benzotriazine
Names & synonyms
NSC600067NSC-60006791477-37-1NCIStruc1_001737NCIStruc2_001127CHEMBL1491455DTXSID20326532CCG-37027NCGC00014915NCI600067NCGC00014915-02NCGC00098016-01
Show more names
3-(4-(5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-yl)butyl)-5,6,7,8-tetrahydro-1,2,4-benzotriazineNCI60_0044681,4-Benzotriazine, 3,3'-(1,4-butanediyl)bis[5,6,7,8-tetrahydro-3,3'-(Butane-1,4-diyl)bis(5,6,7,8-tetrahydro-1,2,4-benzotriazine)
Database identifiers
- CAS
91477-37-1- PubChem CID
- 353049
- DTXSID
DTXSID20326532- ChEMBL
CHEMBL1491455
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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