851776-29-9
1,4,5,6-TETRAHYDRO-3-CYCLOPENTAPYRAZOLECARBONITRILE
Name1,4,5,6-TETRAHYDRO-3-CYCLOPENTAPYRAZOLECARBONITRILE
1Identification
【Name】
1,4,5,6-TETRAHYDRO-3-CYCLOPENTAPYRAZOLECARBONITRILE
【CAS】
【MDL】
MFCD11109619
【English Synonyms】
【Formula】
C7 H7 N3
【MolWeight】
133.153
【Inchi】
InChI=1S/C7H7N3/c8-4-7-5-2-1-3-6(5)9-10-7/h1-3H2,(H,9,10)
【InChIKey】
InChIKey=OEYYFSWAMQIPCS-UHFFFAOYSA-N
【SMILES】
C1Cc2c([nH]nc2C#N)C1
【MOL File】
1,4,5,6-TETRAHYDRO-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1,4,5,6-TETRAHYDRO-3-CYCLOPENTAPYRAZOLECARBONITRILE.cml