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6-Methyl-1H-indazol-5-amine

CAT: 0926-GDA11545Size: 2.5 gDry Ice: NoHazardous: No
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CAT#:0926-GDA11545Size:2.5 g
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CAS Number
81115-45-9
MDL Number
MFCD03305372
Smiles
CC1=CC2=C (C=C1N) C=NN2
Molecular Formula
C8H9N3
Molecular Weight
147.18 g/mol
Controlled
No

Chemical Information

6-methyl-1H-indazol-5-amine
CAS Number81115-45-9
PubChem CID1482582
IUPAC Name6-methyl-1H-indazol-5-amine
Molecular FormulaC8H9N3
Molecular Weight147.18
XLogP1.2
Topological Polar Surface Area54.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity148
SMILES
CC1=CC2=C(C=C1N)C=NN2
InChI
InChI=1S/C8H9N3/c1-5-2-8-6(3-7(5)9)4-10-11-8/h2-4H,9H2,1H3,(H,10,11)
InChIKey
VAFXGOUJAXXPOQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-methyl-1H-indazol-5-amine
CAS: 81115-45-9
CID: 1482582
Formula: C8H9N3
MW: 147.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight147.18
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass147.079647300
Monoisotopic Mass147.079647300
Topological Polar Surface Area54.7 Ų
Heavy Atom Count11
Formal Charge0
Complexity148
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes