Home Other Building Blocks 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)aniline

4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)aniline

CAS No.:
1240528-81-7
Catalog Number:
AG01A9BV
Molecular Formula:
C11H12N4
Molecular Weight:
200.2398
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Product Description
Catalog Number:
AG01A9BV
Chemical Name:
4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)aniline
CAS Number:
1240528-81-7
Molecular Formula:
C11H12N4
Molecular Weight:
200.2398
MDL Number:
MFCD16547714
IUPAC Name:
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)aniline
InChI:
InChI=1S/C11H12N4/c12-9-5-3-8(4-6-9)11-13-10(14-15-11)7-1-2-7/h3-7H,1-2,12H2,(H,13,14,15)
InChI Key:
KDJYUNISHWNLLT-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1[nH]nc(n1)C1CC1
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.106g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
200.245g/mol
Monoisotopic Mass:
200.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties