1-Methyl-4,7-dihydrotriazolo[4,5-d]pyrimidine
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Basic information
- CAS
58950-30-4- Standard SMILES
Cn1nnc2c1CN=CN2- InChIKey
VSZUQZGUQHMBGD-UHFFFAOYSA-N- Molecular formula
- C5H7N5
- Average molar mass
- 137.14 g/mol
- Monoisotopic mass
- 137.07014524
Names & identifiers
- Preferred name
- 1-Methyl-4,7-dihydrotriazolo[4,5-d]pyrimidine
- IUPAC
- 1-methyl-4,7-dihydrotriazolo[4,5-d]pyrimidine
- English name
- 1H-1,2,3-Triazolo[4,5-d]pyrimidine, 6,7-dihydro-1-methyl- (9CI)
- Molecular formula
- C5H7N5
- Molecular weight
- 137.14
Names & synonyms
58950-30-41-methyl-4,7-dihydrotriazolo[4,5-d]pyrimidineNSC281304DTXSID60314211AKOS006355334NSC-2813041-Methyl-4,7-dihydro-1H-[1,2,3]triazolo[4,5-d]pyrimidine1H-1,2,3-Triazolo[4,5-d]pyrimidine, 4,7-dihydro-1-methyl-1H-1,2,3-Triazolo[4,5-d]pyrimidine, 6,7-dihydro-1-methyl- (9CI)
Database identifiers
- CAS
58950-30-4- PubChem CID
- 322899
- DTXSID
DTXSID60314211
Properties
Computed structural propertiesFilling in
- XLogP
- -1.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 156
Related reactions
0 records
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Compound notes
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