Home Carboxys 5-methyl-1-(pyridin-4-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid hydrochloride

5-methyl-1-(pyridin-4-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid hydrochloride

CAS No.:
1803601-84-4
Catalog Number:
AG01BAOG
Molecular Formula:
C10H11ClN4O2
Molecular Weight:
254.6729
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Product Description
Catalog Number:
AG01BAOG
Chemical Name:
5-methyl-1-(pyridin-4-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid hydrochloride
CAS Number:
1803601-84-4
Molecular Formula:
C10H11ClN4O2
Molecular Weight:
254.6729
MDL Number:
MFCD28397701
IUPAC Name:
5-methyl-1-(pyridin-4-ylmethyl)triazole-4-carboxylic acid;hydrochloride
InChI:
InChI=1S/C10H10N4O2.ClH/c1-7-9(10(15)16)12-13-14(7)6-8-2-4-11-5-3-8;/h2-5H,6H2,1H3,(H,15,16);1H
InChI Key:
ZGLIXTHPKWKKOG-UHFFFAOYSA-N
SMILES:
OC(=O)c1nnn(c1C)Cc1ccncc1.Cl
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.057g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
254.674g/mol
Monoisotopic Mass:
254.057g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties