Synonyms
Status
Molecule Category Free-form
UNII FB4Q52I9K2
EPA CompTox DTXSID7074664

Structure

InChI Key XNCOSPRUTUOJCJ-UHFFFAOYSA-N
Smiles N=C(N)NC(=N)N
InChI
InChI=1S/C2H7N5/c3-1(4)7-2(5)6/h(H7,3,4,5,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H7N5
Molecular Weight 101.11
AlogP -1.64
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 5.0
Polar Surface Area 111.77
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 56-03-1
ChEBI 3095
ChEMBL CHEMBL4297654
DrugBank DB13100
FDA SRS FB4Q52I9K2
KEGG C07672
PubChem 5939
SureChEMBL SCHEMBL8039
ZINC ZINC000004097424