6-[(1-Methylcyclopentyl)amino]-1,2,4-triazine-3,5(2H,4H)-dione
Basic information
- CAS
1247826-79-4- Standard SMILES
CC1(Nc2n[nH]c(=O)[nH]c2=O)CCCC1- InChIKey
POVYSIWRLLIPRK-UHFFFAOYSA-N- Molecular formula
- C9H14N4O2
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.1116757
Names & identifiers
- Preferred name
- 6-[(1-Methylcyclopentyl)amino]-1,2,4-triazine-3,5(2H,4H)-dione
- IUPAC
- 6-[(1-methylcyclopentyl)amino]-2H-1,2,4-triazine-3,5-dione
Names & synonyms
DTXSID201178222AKOS0106241326-[(1-Methylcyclopentyl)amino]-1,2,4-triazine-3,5(2H,4H)-dione1247826-79-4
Database identifiers
- CAS
1247826-79-4- PubChem CID
- 61366780
- DTXSID
DTXSID201178222
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 331
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Compound notes
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