Basic information
- CAS
15206-33-4- Standard SMILES
Nc1c(Cl)ncn2c(=O)[nH]nc12- InChIKey
XYZPQHDOYCOWBK-UHFFFAOYSA-N- Molecular formula
- C5H4ClN5O
- Average molar mass
- 185.57 g/mol
- Monoisotopic mass
- 185.01043743
Names & identifiers
- Preferred name
- 8-amino-7-chloro-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
- IUPAC
- 8-amino-7-chloro-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
- English name
- 1,2,4-Triazolo[4,3-c]pyrimidin-3(2H)-one,8-amino-7-chloro-
- Molecular formula
- C5H4ClN5O
- Molecular weight
- 185.57116
Names & synonyms
15206-33-48-Amino-7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-ol8-amino-7-chloro-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-oneNSC687621,2,4-Triazolo[4,3-c]pyrimidin-3(2H)-one,8-amino-7-chloro-SCHEMBL4838921DTXSID60934413XYZPQHDOYCOWBK-UHFFFAOYSA-NQAA20633NSC-68762DB-186642EN300-255824
Show more names
8-Amino-7-chloro[1,2,4]triazolo[4,3-c]pyrimidin-3-ol8-Amino-7-chloro-1,2,4-triazolo[4,3-c]pyrimidin-3(2h)-one8-amino-7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Database identifiers
- CAS
15206-33-4- PubChem CID
- 249898
- DTXSID
DTXSID60934413
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
3 records
Compound notes
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