Basic information
- CAS
1543222-77-0- Standard SMILES
CC1CN(c2cc(NN)nc(C3CC3)n2)CCCO1- InChIKey
QNVRNBYLOHMKHH-UHFFFAOYSA-N- Molecular formula
- C13H21N5O
- Average molar mass
- 263.34 g/mol
- Monoisotopic mass
- 263.17461031
Names & identifiers
- Preferred name
- 1,4-Oxazepine, 4-(2-cyclopropyl-6-hydrazinyl-4-pyrimidinyl)hexahydro-2-methyl-
- IUPAC
- [2-cyclopropyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine
Names & synonyms
DTXSID001137781AKOS0195338101,4-Oxazepine, 4-(2-cyclopropyl-6-hydrazinyl-4-pyrimidinyl)hexahydro-2-methyl-4-(2-Cyclopropyl-6-hydrazinylidene-3,6-dihydropyrimidin-4-yl)-2-methyl-1,4-oxazepane1543222-77-0
Database identifiers
- CAS
1543222-77-0- PubChem CID
- 80964933
- DTXSID
DTXSID001137781
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 76.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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