889940-30-1
7-AMINO-3-TERT-BUTYL-4-OXO-1,4-DIHYDRO-PYRAZOLO[5,1-C][1,2,4]TRIAZINE-8-CARBONITRILE
Name7-AMINO-3-TERT-BUTYL-4-OXO-1,4-DIHYDRO-PYRAZOLO[5,1-C][1,2,4]TRIAZINE-8-CARBONITRILE
1Identification
【Name】
7-AMINO-3-TERT-BUTYL-4-OXO-1,4-DIHYDRO-PYRAZOLO[5,1-C][1,2,4]TRIAZINE-8-CARBONITRILE
【CAS】
【MDL】
MFCD06762641
【English Synonyms】
【Formula】
C10 H12 N6 O
【MolWeight】
232.246
【Inchi】
InChI=1S/C10H12N6O/c1-10(2,3)6-9(17)16-8(14-13-6)5(4-11)7(12)15-16/h14H,1-3H3,(H2,12,15)
【InChIKey】
InChIKey=SQDXDBTVPBBKDI-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1c(=O)n2c(c(c(n2)N)C#N)[nH]n1
【MOL File】
7-AMINO-3-TERT-BUTYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-AMINO-3-TERT-BUTYL-4-OXO-1,4-DIHYDRO-PYRAZOLO[5,1-C][1,2,4]TRIAZINE-8-CARBONITRILE.cml