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143795-92-0 | 1H-1,2,4-Triazole-5-carboxamide, N,N,3-trimethyl-1-(2-propyn-1-yl)-
CAS No: 143795-92-0 Catalog No: AG001ID8 MDL No:
Product Description
Catalog Number:
AG001ID8
Chemical Name:
1H-1,2,4-Triazole-5-carboxamide, N,N,3-trimethyl-1-(2-propyn-1-yl)-
CAS Number:
143795-92-0
Molecular Formula:
C9H12N4O
Molecular Weight:
192.2178
IUPAC Name:
N,N,5-trimethyl-2-prop-2-ynyl-1,2,4-triazole-3-carboxamide
InChI:
InChI=1S/C9H12N4O/c1-5-6-13-8(9(14)12(3)4)10-7(2)11-13/h1H,6H2,2-4H3
InChI Key:
DAHJIRPDGCROQO-UHFFFAOYSA-N
SMILES:
C#CCn1nc(nc1C(=O)N(C)C)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.222g/mol
Monoisotopic Mass:
192.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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