2-{[5-(1,5-Dimethyl-1H-pyrazol-3-YL)-4-isobutyl-4H-1,2,4-triazol-3-YL]thio}acetohydrazide - CAS 1002032-59-8
Catalog: |
BB045660 |
Product Name: |
2-{[5-(1,5-Dimethyl-1H-pyrazol-3-YL)-4-isobutyl-4H-1,2,4-triazol-3-YL]thio}acetohydrazide |
CAS: |
1002032-59-8 |
Synonyms: |
2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide |
IUPAC Name: | 2-[[5-(1,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide |
Description: | 2-{[5-(1,5-Dimethyl-1H-pyrazol-3-YL)-4-isobutyl-4H-1,2,4-triazol-3-YL]thio}acetohydrazide (CAS# 1002032-59-8 ) is a useful research chemical. |
Molecular Weight: | 323.42 |
Molecular Formula: | C13H21N7OS |
Canonical SMILES: | CC1=CC(=NN1C)C2=NN=C(N2CC(C)C)SCC(=O)NN |
InChI: | InChI=1S/C13H21N7OS/c1-8(2)6-20-12(10-5-9(3)19(4)18-10)16-17-13(20)22-7-11(21)15-14/h5,8H,6-7,14H2,1-4H3,(H,15,21) |
InChI Key: | ADDZLDJFOGBCCV-UHFFFAOYSA-N |
Complexity: | 383 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 323.15282949 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 323.15282949 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 129 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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