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158329-07-8

158329-07-8 | 1,2,4-Triazin-3(2H)-one, 4-amino-4,5-dihydro-6-methyl-, hydrochloride (1:1)

CAS No: 158329-07-8 Catalog No: AG001Q3W MDL No:MFCD18072820

Product Description

Catalog Number:
AG001Q3W
Chemical Name:
1,2,4-Triazin-3(2H)-one, 4-amino-4,5-dihydro-6-methyl-, hydrochloride (1:1)
CAS Number:
158329-07-8
Molecular Formula:
C4H9ClN4O
Molecular Weight:
164.5935
MDL Number:
MFCD18072820
IUPAC Name:
4-amino-6-methyl-2,5-dihydro-1,2,4-triazin-3-one;hydrochloride
InChI:
InChI=1S/C4H8N4O.ClH/c1-3-2-8(5)4(9)7-6-3;/h2,5H2,1H3,(H,7,9);1H
InChI Key:
VSMQHCXCTMWZGY-UHFFFAOYSA-N
SMILES:
CC1=NNC(=O)N(C1)N.Cl

Properties

Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.046g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
164.593g/mol
Monoisotopic Mass:
164.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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