Basic information
- Standard SMILES
CNc1nc(NC2CCC(C(=O)O)CC2)nc(N2CCN(C)CC2)n1- InChIKey
FOAAJPCFVZWBSD-UHFFFAOYSA-N- Molecular formula
- C16H27N7O2
- Average molar mass
- 349.43 g/mol
- Monoisotopic mass
- 349.22262313
Names & identifiers
- Preferred name
- trans-4-(4-(Methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-ylamino)cyclohexanecarboxylic acid
- IUPAC
- 4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxylic acid
Names & synonyms
SCHEMBL2241452SCHEMBL2241464FOAAJPCFVZWBSD-HAQNSBGRSA-NFOAAJPCFVZWBSD-UHFFFAOYSA-N4-{[4-(methylamino)-6-(4-methyl-1-piperazinyl)-1,3,5-triazin-2-yl]amino}cyclohexanecarboxylic acidtrans-4-(4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-ylamino) cyclohexanecarboxylic acidtrans-4-(4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-ylamino)cyclohexanecarboxylic acid
Database identifiers
- PubChem CID
- 67330775
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 436
Related reactions
4 records
Linked notes
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