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87268-63-1 | 3-Methyl-5-(1-methylethyl)-1H-1,2,4-triazole
CAS No: 87268-63-1 Catalog No: AG003ADD MDL No:MFCD11215025
Product Description
Catalog Number:
AG003ADD
Chemical Name:
3-Methyl-5-(1-methylethyl)-1H-1,2,4-triazole
CAS Number:
87268-63-1
Molecular Formula:
C6H11N3
Molecular Weight:
125.1716
MDL Number:
MFCD11215025
IUPAC Name:
5-methyl-3-propan-2-yl-1H-1,2,4-triazole
InChI:
InChI=1S/C6H11N3/c1-4(2)6-7-5(3)8-9-6/h4H,1-3H3,(H,7,8,9)
InChI Key:
LDTVMYHINZSUPV-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c(n1)C(C)C
Properties
Complexity:
92.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.095g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
125.175g/mol
Monoisotopic Mass:
125.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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