Basic information
- CAS
2829-57-4- Standard SMILES
Nc1ncnc2nsnc12- InChIKey
VZOBKQJYQYLCHV-UHFFFAOYSA-N- Molecular formula
- C4H3N5S
- Average molar mass
- 153.17 g/mol
- Monoisotopic mass
- 153.0109161
Names & identifiers
- Preferred name
- (1,2,5)Thiadiazolo(3,4-d)pyrimidin-7-amine
- IUPAC
- [1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine
Names & synonyms
[1,2,5]Thiadiazolo[3,4-d]pyrimidin-7-amine6-Amino-8-thiapurine(1,2,5)Thiadiazolo(3,4-d)pyrimidin-7-amine4C4BYC1D8RNSC 34454BRN 0131778NSC-34454UNII-4C4BYC1D8RDTXSID601825384-27-00-09635 (Beilstein Handbook Reference)4-Amino-2,1,3-thiadiazolo-[4,5-d]-pyrimidine(1,2,5)THIADIAZOLO(3,4-D)PYRIMIDIN-7-YLAMINE
Show more names
4-Amino-2,1,3-thiadiazolo-(4,5-d)-pyrimidineRefChem:68088DTXCID00105029VZOBKQJYQYLCHV-UHFFFAOYSA-N2829-57-47-Amino(1,2,5)thiadiazolo(3,4-d)pyrimidine(1,2,5)Thiadiazolo(3,4-d)pyrimidine, 7-amino-7-Amino[1,2,5]thiadiazolo[3,4-d]pyrimidine
Database identifiers
- CAS
2829-57-4- PubChem CID
- 95769
- DTXSID
DTXSID60182538- UNII
- 4C4BYC1D8R
- Nikkaji
- J48.743K
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 131
Related reactions
9 records
Compound notes
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