621685-55-0
1,4-DIHYDRO-5-METHYL-4-OXO-PYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXALDEHYDE
Name1,4-DIHYDRO-5-METHYL-4-OXO-PYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXALDEHYDE
1Identification
【Name】
1,4-DIHYDRO-5-METHYL-4-OXO-PYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXALDEHYDE
【CAS】
【MDL】
MFCD12924536
【English Synonyms】
【Formula】
C8 H7 N3 O2
【MolWeight】
177.162
【Inchi】
InChI=1S/C8H7N3O2/c1-5-6(3-12)2-11-7(5)8(13)9-4-10-11/h2-4H,1H3,(H,9,10,13)
【InChIKey】
InChIKey=FYTAQELLHPZDAC-UHFFFAOYSA-N
【SMILES】
Cc1c(cn2c1c(=O)nc[nH]2)C=O
【MOL File】
1,4-DIHYDRO-5-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,4-DIHYDRO-5-METHYL-4-OXO-PYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXALDEHYDE.cml