2-({4-Ethyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide - CAS 1005700-45-7

Name: 2-({4-Ethyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide
Brand: BOC Sciences
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Catalog:	BB045657
Product Name:	2-({4-Ethyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide
CAS:	1005700-45-7
Synonyms:	2-((4-Ethyl-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide

Technical Data

Computed Properties

IUPAC Name:	2-[[4-ethyl-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
Description:	2-({4-Ethyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide (CAS# 1005700-45-7 ) is a useful research chemical.
Molecular Weight:	349.34
Molecular Formula:	C11H14F3N7OS
Canonical SMILES:	CCN1C(=NN=C1SCC(=O)NN)C2=CC(=NN2C)C(F)(F)F
InChI:	InChI=1S/C11H14F3N7OS/c1-3-21-9(17-18-10(21)23-5-8(22)16-15)6-4-7(11(12,13)14)19-20(6)2/h4H,3,5,15H2,1-2H3,(H,16,22)
InChI Key:	IIYQFWKGXAQQRM-UHFFFAOYSA-N

Complexity:	427
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	349.09326376
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	9
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	349.09326376
Rotatable Bond Count:	5
Topological Polar Surface Area:	129
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1

2-({4-Ethyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide - CAS 1005700-45-7

Technical Data

Computed Properties

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