Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII 6PM8PHM86V
EPA CompTox DTXSID2063927

Structure

InChI Key MVZWLBUGTZKZMN-UHFFFAOYSA-N
Smiles Cl.N=1C=NC(N)=CC1N
InChI
InChI=1/C4H6N4.ClH/c5-3-1-4(6)8-2-7-3;/h1-2H,(H4,5,6,7,8);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6N4
Molecular Weight 146.04
AlogP -0.11
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Polar Surface Area 78.55
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 5468-67-7
NORMAN SUSDAT
FDA SRS 6PM8PHM86V
PubChem 79607