Basic information
- CAS
3886-55-3- Standard SMILES
Cc1cc(=O)n2cn[nH]c2n1- InChIKey
WPBIBPXOGNQYIN-UHFFFAOYSA-N- Molecular formula
- C6H6N4O
- Average molar mass
- 150.14 g/mol
- Monoisotopic mass
- 150.05416083
Names & identifiers
- Preferred name
- 7-Hydroxy-5-methyl-2,3,4-triazaindolizine
- IUPAC
- 7-methyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
- English name
- 5-Methyl-7-hydroxy-1,2,4-triazolo[1,5-a]pyrimidine
- Molecular formula
- C6H6N4O
- Molecular weight
- 150.14
Names & synonyms
3886-55-31,2,4-Triazolo[4,3-a]pyrimidin-5-ol, 7-methyl-7-methyl-1,2,4-Triazolo[4,3-a]pyrimidin-5-olK1Q3E4IQZ3NSC 7528NSC-7528EINECS 223-422-91,2,4-Triazolo(4,3-a)pyrimidin-5-ol, 7-methyl-7-Hydroxy-5-methyl-2,3,4-triazaindolizineDTXSID60632207-Methyl-1,2,4-triazolo(4,3-a)pyrimidin-5-ol7-Methyl-1,2,4-triazolo(4,3-a)pyrimidine-5-ol
Show more names
5-METHYL-7-HYDROXY-S-TRIAZOLO[1,5-A]PYRIMIDINE7-methyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
4-hydroxy-6-methyl-1,2,3a,7-tetraazaindene5-HYDROXY-7-METHYL-1,2,8-TRIAZAINDOLIZINES-TRIAZOLO(4,3-A)PYRIMIDIN-5-OL, 7-METHYL-7-Methyl-1,2,4-triazolo[4,3-a]pyrimidine-5-olRefChem:546574DTXCID0039568223-422-97-Methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Database identifiers
- CAS
3886-55-3- PubChem CID
- 77494
- DTXSID
DTXSID6063220- ChEMBL
CHEMBL2140596
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- FDA UNII
- 1 Q3E4IQZ3 · K1Q3E4IQZ3
- EPA Substance Registry System
- 1 · 1,2,4-Triazolo[4,3-a]pyrimidin-5-ol, 7-methyl- (3886-55-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2,4-Triazolo[4,3-a]pyrimidin-5-ol, 7-methyl-: INACTIVE
Suppliers1 total
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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