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1232838-41-3 | 1H-Pyrazol-4-amine, 5-methyl-3-(4H-1,2,4-triazol-4-yl)-
CAS No: 1232838-41-3 Catalog No: AG000K94 MDL No:MFCD09972023
Product Description
Catalog Number:
AG000K94
Chemical Name:
1H-Pyrazol-4-amine, 5-methyl-3-(4H-1,2,4-triazol-4-yl)-
CAS Number:
1232838-41-3
Molecular Formula:
C6H8N6
Molecular Weight:
164.1679
MDL Number:
MFCD09972023
IUPAC Name:
5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-amine
InChI:
InChI=1S/C6H8N6/c1-4-5(7)6(11-10-4)12-2-8-9-3-12/h2-3H,7H2,1H3,(H,10,11)
InChI Key:
JTYJPOVZVLZEQR-UHFFFAOYSA-N
SMILES:
Nc1c(C)[nH]nc1n1cnnc1
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.081g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.172g/mol
Monoisotopic Mass:
164.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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