IOX4 10mM * 1mL in DMSO

CAT: 0628-A18802-10mM-DSize: 10 mM x 1mL in DMSODry Ice: NoHazardous: No

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CAT#:0628-A18802-10mM-DSize:10 mM x 1mL in DMSO

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1154097-71-8

Chemical Information

tert-butyl 6-(5-oxo-4-(1H-1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinate

CAS Number	1154097-71-8
PubChem CID	24812792
IUPAC Name	tert-butyl 6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylate
Molecular Formula	C15H16N6O3
Molecular Weight	328.33
XLogP	1.2
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	544

SMILES

CC(C)(C)OC(=O)C1=CN=C(C=C1)N2C(=O)C(=CN2)N3C=CN=N3

InChI

InChI=1S/C15H16N6O3/c1-15(2,3)24-14(23)10-4-5-12(16-8-10)21-13(22)11(9-18-21)20-7-6-17-19-20/h4-9,18H,1-3H3

InChIKey

HWQQDVNGHZIALS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1154097-71-8

CID: 24812792

Formula: C15H16N6O3

MW: 328.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	328.33
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	328.12838839
Monoisotopic Mass	328.12838839
Topological Polar Surface Area	102 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	544
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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A19438-10mM-D	GSK8612 10mM * 1mL in DMSO

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