Home Aminos 4-(3-amino-1H-1,2,4-triazol-1-yl)phenol

4-(3-amino-1H-1,2,4-triazol-1-yl)phenol

CAS No.:
1461708-48-4
Catalog Number:
AG01A6SX
Molecular Formula:
C8H8N4O
Molecular Weight:
176.1753
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Product Description
Catalog Number:
AG01A6SX
Chemical Name:
4-(3-amino-1H-1,2,4-triazol-1-yl)phenol
CAS Number:
1461708-48-4
Molecular Formula:
C8H8N4O
Molecular Weight:
176.1753
MDL Number:
MFCD26407614
IUPAC Name:
4-(3-amino-1,2,4-triazol-1-yl)phenol
InChI:
InChI=1S/C8H8N4O/c9-8-10-5-12(11-8)6-1-3-7(13)4-2-6/h1-5,13H,(H2,9,11)
InChI Key:
NWUODDKBQSKXGT-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)n1cnc(n1)N
Properties
Complexity:
170  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
176.179g/mol
Monoisotopic Mass:
176.07g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties