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879-41-4 | 1-(pyrimidin-2-yl)-1h-1,2,4-triazole-3,5-diamine
CAS No: 879-41-4 Catalog No: AG004D7F MDL No:
Product Description
Catalog Number:
AG004D7F
Chemical Name:
1-(pyrimidin-2-yl)-1h-1,2,4-triazole-3,5-diamine
CAS Number:
879-41-4
Molecular Formula:
C6H7N7
Molecular Weight:
177.1667
IUPAC Name:
1-pyrimidin-2-yl-1,2,4-triazole-3,5-diamine
InChI:
InChI=1S/C6H7N7/c7-4-11-5(8)13(12-4)6-9-2-1-3-10-6/h1-3H,(H4,7,8,11,12)
InChI Key:
UAMFGEUHROPIHS-UHFFFAOYSA-N
SMILES:
Nc1nn(c(n1)N)c1ncccn1
NSC Number:
128566
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.076g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.171g/mol
Monoisotopic Mass:
177.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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