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1260850-75-6 | 1H-1,2,4-Triazol-3-amine, 1-(6-chloro-4-pyrimidinyl)-
CAS No: 1260850-75-6 Catalog No: AG000RGH MDL No:MFCD11109850
Product Description
Catalog Number:
AG000RGH
Chemical Name:
1H-1,2,4-Triazol-3-amine, 1-(6-chloro-4-pyrimidinyl)-
CAS Number:
1260850-75-6
Molecular Formula:
C6H5ClN6
Molecular Weight:
196.5971
MDL Number:
MFCD11109850
IUPAC Name:
1-(6-chloropyrimidin-4-yl)-1,2,4-triazol-3-amine
InChI:
InChI=1S/C6H5ClN6/c7-4-1-5(10-2-9-4)13-3-11-6(8)12-13/h1-3H,(H2,8,12)
InChI Key:
XIKSHUKWERTAED-UHFFFAOYSA-N
SMILES:
Nc1ncn(n1)c1ncnc(c1)Cl
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.026g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.598g/mol
Monoisotopic Mass:
196.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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