Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID80181386

Structure

InChI Key RWHNUWWUPZKDQP-UHFFFAOYSA-N
Smiles Cl.Cl.N=1C=C(N)C=CC1N
InChI
InChI=1/C5H7N3.2ClH/c6-4-1-2-5(7)8-3-4;;/h1-3H,6H2,(H2,7,8);2*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7N3
Molecular Weight 181.02
AlogP 0.92
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 3.0
Polar Surface Area 65.66
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 26878-35-3
NORMAN SUSDAT
PubChem 20314