Home Other Building Blocks 1-methyl-3-(oxan-4-yl)-1H-1,2,4-triazol-5-amine

1-methyl-3-(oxan-4-yl)-1H-1,2,4-triazol-5-amine

CAS No.:
1564529-75-4
Catalog Number:
AG01DVOK
Molecular Formula:
C8H14N4O
Molecular Weight:
182.2230
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Product Description
Catalog Number:
AG01DVOK
Chemical Name:
1-methyl-3-(oxan-4-yl)-1H-1,2,4-triazol-5-amine
CAS Number:
1564529-75-4
Molecular Formula:
C8H14N4O
Molecular Weight:
182.2230
MDL Number:
MFCD26917072
IUPAC Name:
2-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-amine
InChI:
InChI=1S/C8H14N4O/c1-12-8(9)10-7(11-12)6-2-4-13-5-3-6/h6H,2-5H2,1H3,(H2,9,10,11)
InChI Key:
APLFLTVZOUDTFG-UHFFFAOYSA-N
SMILES:
Cn1nc(nc1N)C1CCOCC1
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.117g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.227g/mol
Monoisotopic Mass:
182.117g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties