Basic information
- CAS
1210646-95-9- Standard SMILES
C=CCn1c(N)nnc1SCC(=O)NC1(C#N)CCCC1- InChIKey
OFQQMLYJUMWRRY-UHFFFAOYSA-N- Molecular formula
- C13H18N6OS
- Average molar mass
- 306.39 g/mol
- Monoisotopic mass
- 306.12628039
Names & identifiers
- Preferred name
- 2-{[5-amino-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyanocyclopentyl)acetamide
- IUPAC
- 2-[(5-amino-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclopentyl)acetamide
Names & synonyms
1210646-95-92-{[5-amino-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyanocyclopentyl)acetamideDTXSID901122525AKOS034189525EN300-26687118Z3274972222-[[5-Amino-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-N-(1-cyanocyclopentyl)acetamide
Database identifiers
- CAS
1210646-95-9- PubChem CID
- 45809281
- DTXSID
DTXSID901122525
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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