Home Other Building Blocks (5-methyl-1H-1,2,4-triazol-3-yl)(phenyl)methanamine

(5-methyl-1H-1,2,4-triazol-3-yl)(phenyl)methanamine

CAS No.:
1247802-39-6
Catalog Number:
AG01DUBI
Molecular Formula:
C10H12N4
Molecular Weight:
188.2291
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Product Description
Catalog Number:
AG01DUBI
Chemical Name:
(5-methyl-1H-1,2,4-triazol-3-yl)(phenyl)methanamine
CAS Number:
1247802-39-6
Molecular Formula:
C10H12N4
Molecular Weight:
188.2291
MDL Number:
MFCD14610800
IUPAC Name:
(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethanamine
InChI:
InChI=1S/C10H12N4/c1-7-12-10(14-13-7)9(11)8-5-3-2-4-6-8/h2-6,9H,11H2,1H3,(H,12,13,14)
InChI Key:
QZLDMIKJDRTBCH-UHFFFAOYSA-N
SMILES:
NC(c1n[nH]c(n1)C)c1ccccc1
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.106g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
188.234g/mol
Monoisotopic Mass:
188.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties