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1422135-50-9 | 2-(((1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)methoxy)methyl)thiazole
CAS No: 1422135-50-9 Catalog No: AG01DGVI MDL No:
Product Description
Catalog Number:
AG01DGVI
Chemical Name:
2-(((1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)methoxy)methyl)thiazole
CAS Number:
1422135-50-9
Molecular Formula:
C10H12N4OS
Molecular Weight:
236.2935
IUPAC Name:
2-(1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-ylmethoxymethyl)-1,3-thiazole
InChI:
InChI=1S/C10H12N4OS/c1-2-16-10(12-1)6-15-5-9-7-3-11-4-8(7)13-14-9/h1-2,11H,3-6H2,(H,13,14)
InChI Key:
NTTONTASJZYIJM-UHFFFAOYSA-N
SMILES:
O(Cc1n[nH]c2c1CNC2)Cc1nccs1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.073g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.293g/mol
Monoisotopic Mass:
236.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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