3-(2-Chloroethyl)-3,4-dihydro-4-oxopyrazolo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide
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Basic information
- CAS
90521-23-6- Standard SMILES
NC(=O)c1cnn2c(=O)n(CCCl)nnc12- InChIKey
GCOAJPQTYKOBSK-UHFFFAOYSA-N- Molecular formula
- C7H7ClN6O2
- Average molar mass
- 242.62 g/mol
- Monoisotopic mass
- 242.0319012
Overview
RN given from first source; RN not in Chemline 9/86; structure given in first source
Names & identifiers
- Preferred name
- 3-(2-Chloroethyl)-3,4-dihydro-4-oxopyrazolo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide
- IUPAC
- 3-(2-chloroethyl)-4-oxopyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
- English name
- 3-(2-chloroethyl)-3,4-dihydro-4-oxopyrazolo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide
- Molecular weight
- 0
Names & synonyms
Cedopt90521-23-63-(2-Chloroethyl)-3,4-dihydro-4-oxopyrazolo(5,1-d)-1,2,3,5-tetrazine-8-carboxamideDTXSID50238194RefChem:92176DTXCID701606853-(2-chloroethyl)-4-oxo-3,4-dihydropyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxamidePyraoncozineCHEMBL121587SCHEMBL10982555NSC-364834-DNSC-D-364834
Show more names
3-(2-chloroethyl)-4-oxopyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxamideC-8412843Pyrazolo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide, 3-(2-chloroethyl)-3,4-dihydro-4-oxo-
Database identifiers
- CAS
90521-23-6- PubChem CID
- 128922
- DTXSID
DTXSID50238194- ChEMBL
CHEMBL121587
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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