2-METHYL-4H-PYRAZOLO[1,5-A]BENZIMIDAZOLE

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70945171

Structure

InChI Key ZOTKUMAGJQDASQ-UHFFFAOYSA-N
Smiles N1=C(C=C2NC=3C=CC=CC3N12)C
InChI
InChI=1/C10H9N3/c1-7-6-10-11-8-4-2-3-5-9(8)13(10)12-7/h2-6,11H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H9N3
Molecular Weight 171.08
AlogP 2.12
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 33.09
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 22501-82-2
NORMAN SUSDAT
CONTENTS