Home Other Building Blocks [5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methanamine

[5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methanamine

CAS No.:
944896-84-8
Catalog Number:
AG01AENR
Molecular Formula:
C6H12N4
Molecular Weight:
140.1863
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Product Description
Catalog Number:
AG01AENR
Chemical Name:
[5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methanamine
CAS Number:
944896-84-8
Molecular Formula:
C6H12N4
Molecular Weight:
140.1863
MDL Number:
MFCD10696424
IUPAC Name:
(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methanamine
InChI:
InChI=1S/C6H12N4/c1-4(2)6-8-5(3-7)9-10-6/h4H,3,7H2,1-2H3,(H,8,9,10)
InChI Key:
FRHFXFXZSQDYBC-UHFFFAOYSA-N
SMILES:
NCc1nnc([nH]1)C(C)C
Properties
Complexity:
104  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.106g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
140.19g/mol
Monoisotopic Mass:
140.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties