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Chemical Product CAS:7229-10-95-(pyrrolidin-1-ylhydrazinylidene)triazole-4-carboxamide


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5-(pyrrolidin-1-ylhydrazinylidene)triazole-4- ( CASNO:7229-10-9 )

Identification and Related Records
CAS Registry number:
Molecular Formula:
Molecular Weight:
Chemical and Physical Properties
Boiling Point:
Flash Point:
Computed Properties:
Molecular Weight:209.20854 [g/mol]
Molecular Formula:C7H11N7O
H-Bond Donor:2
H-Bond Acceptor:6
Rotatable Bond Count:3
Tautomer Count:11
Exact Mass:209.102508
MonoIsotopic Mass:209.102508
Topological Polar Surface Area:108
Heavy Atom Count:15
Formal Charge:0
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:36
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