Home Carboxys sodium 3-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxylate

sodium 3-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxylate

CAS No.:
2138288-40-9
Catalog Number:
AG01EKKS
Molecular Formula:
C9H13N4NaO2
Molecular Weight:
232.2149
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Product Description
Catalog Number:
AG01EKKS
Chemical Name:
sodium 3-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxylate
CAS Number:
2138288-40-9
Molecular Formula:
C9H13N4NaO2
Molecular Weight:
232.2149
MDL Number:
MFCD31433980
IUPAC Name:
sodium;5-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-3-carboxylate
InChI:
InChI=1S/C9H14N4O2.Na/c1-13-4-2-6(3-5-13)7-10-8(9(14)15)12-11-7;/h6H,2-5H2,1H3,(H,14,15)(H,10,11,12);/q;+1/p-1
InChI Key:
NKPPWKCNBBNQCB-UHFFFAOYSA-M
SMILES:
CN1CCC(CC1)c1n[nH]c(n1)C(=O)[O-].[Na+]
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.094g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.219g/mol
Monoisotopic Mass:
232.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties