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24521-42-4 | 2-Butenamide, N-1H-1,2,4-triazol-5-yl-3-(1H-1,2,4-triazol-5-ylamino)-
CAS No: 24521-42-4 Catalog No: AG002OER MDL No:
Product Description
Catalog Number:
AG002OER
Chemical Name:
2-Butenamide, N-1H-1,2,4-triazol-5-yl-3-(1H-1,2,4-triazol-5-ylamino)-
CAS Number:
24521-42-4
Molecular Formula:
C8H10N8O
Molecular Weight:
234.2180
IUPAC Name:
N-(1H-1,2,4-triazol-5-yl)-3-(1H-1,2,4-triazol-5-ylamino)but-2-enamide
InChI:
InChI=1S/C8H10N8O/c1-5(13-7-9-3-11-15-7)2-6(17)14-8-10-4-12-16-8/h2-4H,1H3,(H2,9,11,13,15)(H2,10,12,14,16,17)
InChI Key:
RGYLVYUWBKOBAK-UHFFFAOYSA-N
SMILES:
CC(=CC(=O)Nc1ncn[nH]1)Nc1ncn[nH]1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
234.223g/mol
Monoisotopic Mass:
234.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.6
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