400088-21-3
5-MORPHOLINO-3-PHENYL-1,2,4-TRIAZINE-6-CARBONITRILE
Name5-MORPHOLINO-3-PHENYL-1,2,4-TRIAZINE-6-CARBONITRILE
1Identification
【Name】
5-MORPHOLINO-3-PHENYL-1,2,4-TRIAZINE-6-CARBONITRILE
【CAS】
【MDL】
MFCD01316960
【English Synonyms】
【Formula】
C14 H13 N5 O
【MolWeight】
267.291
【Inchi】
InChI=1S/C14H13N5O/c15-10-12-14(19-6-8-20-9-7-19)16-13(18-17-12)11-4-2-1-3-5-11/h1-5H,6-9H2
【InChIKey】
InChIKey=DTRVMORXSBVYDB-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2nc(c(nn2)C#N)N3CCOCC3
【MOL File】
5-MORPHOLINO-3-PHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-MORPHOLINO-3-PHENYL-1,2,4-TRIAZINE-6-CARBONITRILE.cml