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Home Nitriles 1H-1,2,3-Triazole-4-carbonitrile, 5-amino-1- (phenylmethyl)-

1H-1,2,3-Triazole-4-carbonitrile, 5-amino-1- (phenylmethyl)-

CAS No.:
20271-35-6
Catalog Number:
AG00BU3Y
Molecular Formula:
C10H9N5
Molecular Weight:
199.2120
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Product Description
Catalog Number:
AG00BU3Y
Chemical Name:
1H-1,2,3-Triazole-4-carbonitrile, 5-amino-1- (phenylmethyl)-
CAS Number:
20271-35-6
Molecular Formula:
C10H9N5
Molecular Weight:
199.2120
MDL Number:
MFCD02752908
IUPAC Name:
5-amino-1-benzyltriazole-4-carbonitrile
InChI:
InChI=1S/C10H9N5/c11-6-9-10(12)15(14-13-9)7-8-4-2-1-3-5-8/h1-5H,7,12H2
InChI Key:
XWQIUVCDURLODQ-UHFFFAOYSA-N
SMILES:
N#Cc1nnn(c1N)Cc1ccccc1
NSC Number:
314884
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.086g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.217g/mol
Monoisotopic Mass:
199.086g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties