N,N-Bis(4-Chlorobenzyl)-1h-1,2,3,4-Tetraazol-5-Amine
Basic information
- CAS
338777-69-8- Standard SMILES
Clc1ccc(CN(Cc2ccc(Cl)cc2)c2nn[nH]n2)cc1- InChIKey
UOUXILZUBDIWQU-UHFFFAOYSA-N- Molecular formula
- C15H13Cl2N5
- Average molar mass
- 334.2 g/mol
- Monoisotopic mass
- 333.0548008
Names & identifiers
- Preferred name
- N,N-Bis(4-Chlorobenzyl)-1h-1,2,3,4-Tetraazol-5-Amine
- IUPAC
- N,N-bis[(4-chlorophenyl)methyl]-2H-tetrazol-5-amine
Names & synonyms
N,N-BIS(4-CHLOROBENZYL)-1H-1,2,3,4-TETRAAZOL-5-AMINE338777-69-8DTXSID50332267N,N-bis[(4-chlorophenyl)methyl]-2H-1,2,3,4-tetrazol-5-amineN,N-bis((4-chlorophenyl)methyl)-2H-1,2,3,4-tetrazol-5-amineRefChem:161104DTXCID50283361N,N-bis[(4-chlorophenyl)methyl]-2H-tetrazol-5-amineN,N-bis[(4-chlorophenyl)methyl]-1H-1,2,3,4-tetrazol-5-amineCHEMBL186174P725KF5TYYOprea1_409650
Show more names
MLS000694668cid_447980SCHEMBL5003448REGID_for_CID_447980HMS2608B15BDBM50154215AKOS005096808DB04037
Database identifiers
- CAS
338777-69-8- PubChem CID
- 447980
- DTXSID
DTXSID50332267- ChEMBL
CHEMBL186174- UNII
- P725KF5TYY
- Nikkaji
- J2.014.807A
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 306
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
LogP2.74
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Compound notes
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