771499-33-3
1-(CHLOROMETHYL)-4-PENTYL[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5(4H)-ONE
Name1-(CHLOROMETHYL)-4-PENTYL[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5(4H)-ONE
1Identification
【Name】
1-(CHLOROMETHYL)-4-PENTYL[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5(4H)-ONE
【CAS】
【MDL】
MFCD06347911
【English Synonyms】
【Formula】
C15 H17 Cl N4 O
【MolWeight】
304.779
【Inchi】
InChI=1S/C15H17ClN4O/c1-2-3-6-9-19-14(21)11-7-4-5-8-12(11)20-13(10-16)17-18-15(19)20/h4-5,7-8H,2-3,6,9-10H2,1H3
【InChIKey】
InChIKey=GJBWWJWQHGCBCR-UHFFFAOYSA-N
【SMILES】
CCCCCn1c(=O)c2ccccc2n3c1nnc3CCl
【MOL File】
1-(CHLOROMETHYL)-4-P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(CHLOROMETHYL)-4-PENTYL[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5(4H)-ONE.cml