C 1295
Basic information
- CAS
128113-12-2- Standard SMILES
CCN(CC)CCNc1ccc2nnn3c4ccc(C)cc4c(=O)c1c23- InChIKey
LRSSABIWZOHLGO-UHFFFAOYSA-N- Molecular formula
- C20H23N5O
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.19026037
Overview
DNA-binding drug; structure given in first source
Names & identifiers
- Preferred name
- C 1295
- IUPAC
- 10-[2-(diethylamino)ethylamino]-5-methyl-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
Names & synonyms
128113-12-2C 1295C-1295RefChem:122453C12955-(2-(Diethylamino)ethylamino)-8-methyl-6H-(1,2,3)-triazolo(4,5-,1-de)acridin-6-one10-[2-(Diethylamino)ethylamino]-5-methyl-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-oneCHEMBL319884DTXSID00926074NSC645824NSC-645824NCI60_015713
Show more names
5-{[2-(Diethylamino)ethyl]amino}-8-methyl-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-onato5-{[2-(Diethylamino)ethyl]amino}-8-methyl-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one6H-(1,2,3)Triazolo(4,5,1-de)acridin-6-one, 5-((2-(diethylamino)ethyl)amino)-8-methyl-
Database identifiers
- CAS
128113-12-2- PubChem CID
- 438564
- DTXSID
DTXSID00926074- ChEMBL
CHEMBL319884- Nikkaji
- J347.580H
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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