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25910-78-5 | 1H-1,2,3-Triazolo[4,5-d]pyridazine, 7-methoxy-4-methyl-
CAS No: 25910-78-5 Catalog No: AG002QZZ MDL No:
Product Description
Catalog Number:
AG002QZZ
Chemical Name:
1H-1,2,3-Triazolo[4,5-d]pyridazine, 7-methoxy-4-methyl-
CAS Number:
25910-78-5
Molecular Formula:
C6H7N5O
Molecular Weight:
165.1527
IUPAC Name:
4-methoxy-7-methyl-2H-triazolo[4,5-d]pyridazine
InChI:
InChI=1S/C6H7N5O/c1-3-4-5(9-11-8-4)6(12-2)10-7-3/h1-2H3,(H,8,9,11)
InChI Key:
UHLHZLYLTIDHRD-UHFFFAOYSA-N
SMILES:
COc1nnc(c2c1[nH]nn2)C
NSC Number:
68993
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.065g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.156g/mol
Monoisotopic Mass:
165.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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