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130223-68-6 | 1H-1,2,4-Triazole-1,5-diamine
CAS No: 130223-68-6 Catalog No: AG000U5W MDL No:
Product Description
Catalog Number:
AG000U5W
Chemical Name:
1H-1,2,4-Triazole-1,5-diamine
CAS Number:
130223-68-6
Molecular Formula:
C2H5N5
Molecular Weight:
99.0946
IUPAC Name:
1,2,4-triazole-1,5-diamine
InChI:
InChI=1S/C2H5N5/c3-2-5-1-6-7(2)4/h1H,4H2,(H2,3,5,6)
InChI Key:
ANTLWPDCHMZLDV-UHFFFAOYSA-N
SMILES:
Nn1ncnc1N
Properties
Complexity:
63.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.054g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
99.097g/mol
Monoisotopic Mass:
99.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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