Basic information
- CAS
13070-33-2- Standard SMILES
CC(C)c1nc(Nc2ccccc2)n(P(=O)(N(C)C)N(C)C)n1- InChIKey
QCYLHTRZNGIABL-UHFFFAOYSA-N- Molecular formula
- C15H25N6OP
- Average molar mass
- 336.37 g/mol
- Monoisotopic mass
- 336.18274644
Names & identifiers
- Preferred name
- P-(5-Anilino-3-isopropyl-1H-1,2,4-triazol-1-yl)-N,N,N',N'-tetramethylphosphonic diamide
- IUPAC
- 2-[bis(dimethylamino)phosphoryl]-N-phenyl-5-propan-2-yl-1,2,4-triazol-3-amine
Names & synonyms
13070-33-25FZ2L2QR6VNSC 143974P-(5-Anilino-3-isopropyl-1H-1,2,4-triazol-1-yl)-N,N,N',N'-tetramethylphosphonic diamideNSC143974UNII-5FZ2L2QR6VMLS002920609NSC-143974N,N,N',N'-Tetramethyl-P-(3-(1-methylethyl)-5-(phenylamino)-1H-1,2,4-triazol-1-yl)phosphonic diamideCHEMBL2140141DTXSID80156690SMR001798196
Show more names
2-[bis(dimethylamino)phosphoryl]-5-isopropyl-N-phenyl-1,2,4-triazol-3-amineP-[5-Anilino-3-(propan-2-yl)-1H-1,2,4-triazol-1-yl]-N,N,N',N'-tetramethylphosphonic diamidePHOSPHONIC DIAMIDE, N,N,N',N'-TETRAMETHYL-P-(3-(1-METHYLETHYL)-5-(PHENYLAMINO)-1H-1,2,4-TRIAZOL-1-YL)-
Database identifiers
- CAS
13070-33-2- PubChem CID
- 286140
- DTXSID
DTXSID80156690- ChEMBL
CHEMBL2140141- UNII
- 5FZ2L2QR6V
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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