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Home > Pyridines > 1046801-89-1
1046801-89-1 | 2-(4-methylphenyl)-4-(pyridin-4-yl)pyrimidine-5-carbohydrazide dihydrochloride
CAS No: 1046801-89-1 Catalog No: AG00IQTC MDL No:MFCD16628283
Product Description
Catalog Number:
AG00IQTC
Chemical Name:
2-(4-methylphenyl)-4-(pyridin-4-yl)pyrimidine-5-carbohydrazide dihydrochloride
CAS Number:
1046801-89-1
Molecular Formula:
C17H16Cl2N5O
Molecular Weight:
377.2478
MDL Number:
MFCD16628283
IUPAC Name:
2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carbohydrazide;dihydrochloride
InChI:
InChI=1S/C17H15N5O.2ClH/c1-11-2-4-13(5-3-11)16-20-10-14(17(23)22-18)15(21-16)12-6-8-19-9-7-12;;/h2-10H,18H2,1H3,(H,22,23);2*1H
InChI Key:
GBGRKAAKNBIYRE-UHFFFAOYSA-N
SMILES:
[NH3+][NH+]C(=O)c1cnc(nc1c1ccncc1)c1ccc(cc1)C.[Cl-].[Cl-]
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.081g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
378.257g/mol
Monoisotopic Mass:
377.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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