1-(6-Hydrazinyl-4-pyrimidinyl)hexahydro-1H-azepine
Basic information
- CAS
5767-37-3- Standard SMILES
NNc1cc(N2CCCCCC2)ncn1- InChIKey
XQFRSGXBFAXSKY-UHFFFAOYSA-N- Molecular formula
- C10H17N5
- Average molar mass
- 207.28 g/mol
- Monoisotopic mass
- 207.14839556
Names & identifiers
- Preferred name
- 1-(6-Hydrazinyl-4-pyrimidinyl)hexahydro-1H-azepine
- IUPAC
- [6-(azepan-1-yl)pyrimidin-4-yl]hydrazine
Names & synonyms
DTXSID201228007AKOS0194966691-(6-Hydrazinyl-4-pyrimidinyl)hexahydro-1H-azepine1-(6-Hydrazinylidene-3,6-dihydropyrimidin-4-yl)azepane5767-37-3
Database identifiers
- CAS
5767-37-3- PubChem CID
- 80927859
- DTXSID
DTXSID201228007
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 179
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Compound notes
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