(1-((3-Methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide
Basic information
- CAS
159383-37-6- Standard SMILES
Cc1nc(CN2CCCC2=NC#N)n(-c2ccccc2)n1- InChIKey
RJNRCAWWBCOWIY-UHFFFAOYSA-N- Molecular formula
- C15H16N6
- Average molar mass
- 280.33 g/mol
- Monoisotopic mass
- 280.14364454
Names & identifiers
- Preferred name
- (1-((3-Methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide
- IUPAC
- [1-[(5-methyl-2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-ylidene]cyanamide
Names & synonyms
159383-37-6(1-((3-Methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide1-((1-Phenyl-3-methyl-1,2,4-triazolyl-5)methyl)-2-cyaniminopyrrolidineCyanamide, (1-((3-methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)-SMR000103340[1-[(5-methyl-2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-ylidene]cyanamideMLS000106373CHEMBL3209154HMS2465M13STL356331AKOS0016231251-[(3-methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyrrolidinylidenecyanamide
Show more names
AH-262/36680020SR-01000080800SR-01000207337SR-01000080800-1SR-01000207337-1(E)-N-(1-((3-methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)pyrrolidin-2-ylidene)cyanamide{(2E)-1-[(3-methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-2-ylidene}cyanamide
Database identifiers
- CAS
159383-37-6- PubChem CID
- 759769
- ChEMBL
CHEMBL3209154- Nikkaji
- J543.836E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 433
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…