1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid
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Basic information
- CAS
352446-60-7- Standard SMILES
Nc1nonc1-n1nnc(C(=O)O)c1CN1CCOCC1- InChIKey
DCJOKCMKVZQYQZ-UHFFFAOYSA-N- Molecular formula
- C10H13N7O4
- Average molar mass
- 295.26 g/mol
- Monoisotopic mass
- 295.10290192
Names & identifiers
- Preferred name
- 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid
- IUPAC
- 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)triazole-4-carboxylic acid
- English name
- 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid
- Molecular formula
- C10H13N7O4
- Molecular weight
- 295.25
Names & synonyms
352446-60-71-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acidDTXSID10360905RefChem:224770DTXCID503119561-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(morpholinomethyl)-1H-1,2,3-triazole-4-carboxylic acid1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)triazole-4-carboxylic acid1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-5-[(MORPHOLIN-4-YL)METHYL]-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID1-(4-amino(1,2,5-oxadiazol-3-yl))-5-(morpholin-4-ylmethyl)-1,2,3-triazole-4-ca rboxylic acidChemDiv1_027607Oprea1_254213HMS665G19
Show more names
1H-1,2,3-Triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-morpholinylmethyl)-
DCJOKCMKVZQYQZ-UHFFFAOYSA-NCCG-25919MFCD01414692SBB002033STK674488AKOS000549088ST085540CS-0320244
Database identifiers
- CAS
352446-60-7- PubChem CID
- 1201469
- DTXSID
DTXSID10360905
Properties
Computed structural propertiesFilling in
- XLogP
- -3.8
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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