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116473-92-8 | 1H-1,2,4-Triazol-5-amine, N-[(5-methyl-2-furanyl)methylene]-
CAS No: 116473-92-8 Catalog No: AG000CKC MDL No:
Product Description
Catalog Number:
AG000CKC
Chemical Name:
1H-1,2,4-Triazol-5-amine, N-[(5-methyl-2-furanyl)methylene]-
CAS Number:
116473-92-8
Molecular Formula:
C8H8N4O
Molecular Weight:
176.1753
IUPAC Name:
1-(5-methylfuran-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine
InChI:
InChI=1S/C8H8N4O/c1-6-2-3-7(13-6)4-9-8-10-5-11-12-8/h2-5H,1H3,(H,10,11,12)
InChI Key:
FHMQQKGKDDMKDK-UHFFFAOYSA-N
SMILES:
Cc1ccc(o1)C=Nc1ncn[nH]1
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.07g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.179g/mol
Monoisotopic Mass:
176.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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