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Home Other Building Blocks (1-methyl-1H-pyrazol-4-yl)(1,2,4-oxadiazol-3-yl)methanamine dihydrochloride

(1-methyl-1H-pyrazol-4-yl)(1,2,4-oxadiazol-3-yl)methanamine dihydrochloride

CAS No.:
1864015-38-2
Catalog Number:
AG01AP30
Molecular Formula:
C7H11Cl2N5O
Molecular Weight:
252.1011
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Product Description
Catalog Number:
AG01AP30
Chemical Name:
(1-methyl-1H-pyrazol-4-yl)(1,2,4-oxadiazol-3-yl)methanamine dihydrochloride
CAS Number:
1864015-38-2
Molecular Formula:
C7H11Cl2N5O
Molecular Weight:
252.1011
MDL Number:
MFCD29034384
IUPAC Name:
(1-methylpyrazol-4-yl)-(1,2,4-oxadiazol-3-yl)methanamine;dihydrochloride
InChI:
InChI=1S/C7H9N5O.2ClH/c1-12-3-5(2-10-12)6(8)7-9-4-13-11-7;;/h2-4,6H,8H2,1H3;2*1H
InChI Key:
VHXINNXNYRXCDU-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)C(c1nocn1)N.Cl.Cl
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.034g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
252.099g/mol
Monoisotopic Mass:
251.034g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties