Home Other Building Blocks 3-CYCLOPROPYL-4-PHENYL-4H-1,2,4-TRIAZOLE

3-CYCLOPROPYL-4-PHENYL-4H-1,2,4-TRIAZOLE

CAS No.:
1553431-50-7
Catalog Number:
AG01DVN1
Molecular Formula:
C11H11N3
Molecular Weight:
185.2251
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Product Description
Catalog Number:
AG01DVN1
Chemical Name:
3-CYCLOPROPYL-4-PHENYL-4H-1,2,4-TRIAZOLE
CAS Number:
1553431-50-7
Molecular Formula:
C11H11N3
Molecular Weight:
185.2251
MDL Number:
MFCD24196728
IUPAC Name:
3-cyclopropyl-4-phenyl-1,2,4-triazole
InChI:
InChI=1S/C11H11N3/c1-2-4-10(5-3-1)14-8-12-13-11(14)9-6-7-9/h1-5,8-9H,6-7H2
InChI Key:
ZWXFRSZZZMRONH-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)n1cnnc1C1CC1
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.095g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.23g/mol
Monoisotopic Mass:
185.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties