Home Other Building Blocks 2-methyl-1-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}propan-1-amine

2-methyl-1-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}propan-1-amine

CAS No.:
1094444-89-9
Catalog Number:
AG01AGN6
Molecular Formula:
C9H16N4
Molecular Weight:
180.2501
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Product Description
Catalog Number:
AG01AGN6
Chemical Name:
2-methyl-1-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}propan-1-amine
CAS Number:
1094444-89-9
Molecular Formula:
C9H16N4
Molecular Weight:
180.2501
MDL Number:
MFCD11181278
IUPAC Name:
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropan-1-amine
InChI:
InChI=1S/C9H16N4/c1-6(2)8(10)9-12-11-7-4-3-5-13(7)9/h6,8H,3-5,10H2,1-2H3
InChI Key:
DVVZQDQWNMAEIH-UHFFFAOYSA-N
SMILES:
CC(C(c1nnc2n1CCC2)N)C
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.137g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.255g/mol
Monoisotopic Mass:
180.137g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties