4-(4-Amino-6-(5-chloro-1H-indol-4-ylmethyl)-(1,3,5)triazin-2-ylamino)-benzonitrile
Basic information
- Standard SMILES
N#Cc1ccc(Nc2nc(N)nc(Cc3c(Cl)ccc4[nH]ccc34)n2)cc1- InChIKey
SOKOHDQTKSROQZ-UHFFFAOYSA-N- Molecular formula
- C19H14ClN7
- Average molar mass
- 375.8 g/mol
Names & identifiers
- Preferred name
- 4-(4-Amino-6-(5-chloro-1H-indol-4-ylmethyl)-(1,3,5)triazin-2-ylamino)-benzonitrile
- IUPAC
- 4-[[4-amino-6-[(5-chloro-1H-indol-4-yl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile
Names & synonyms
4-[4-AMINO-6-(5-CHLORO-1H-INDOL-4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE4-({4-amino-6-[(5-chloro-1H-indol-4-yl)methyl]-1,3,5-triazin-2-yl}amino)benzonitrile4-[[4-amino-6-[(5-chloro-1H-indol-4-yl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile4-((4-amino-6-((5-chloro-1H-indol-4-yl)methyl)-1,3,5-triazin-2-yl)amino)benzonitrile4-(4-Amino-6-(5-chloro-1H-indol-4-ylmethyl)-(1,3,5)triazin-2-ylamino)-benzonitrileRefChem:513823ABZCHEMBL313405SCHEMBL5005294DB07337PD005332NS00069146
Show more names
Q27096565Benzonitrile, 4-[[4-amino-6-[(5-chloro-1H-indol-4-yl)methyl]-1,3,5-triazin-2-yl]amino]-
Database identifiers
- PubChem CID
- 448533
- ChEMBL
CHEMBL313405- Nikkaji
- J2.922.608C
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 543
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
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Related reactions
5 records
Compound notes
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