3-(3-Chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carbohydrazide - CAS 438220-66-7
Catalog: |
BB045927 |
Product Name: |
3-(3-Chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carbohydrazide |
CAS: |
438220-66-7 |
Synonyms: |
1-(3-chloro-1,2,4-triazolyl)adamantane-3-carbohydrazide |
IUPAC Name: | 3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbohydrazide |
Description: | 3-(3-Chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carbohydrazide (CAS# 438220-66-7 ) is a useful research chemical. |
Molecular Weight: | 295.77 |
Molecular Formula: | C13H18ClN5O |
Canonical SMILES: | C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)Cl)C(=O)NN |
InChI: | InChI=1S/C13H18ClN5O/c14-11-16-7-19(18-11)13-4-8-1-9(5-13)3-12(2-8,6-13)10(20)17-15/h7-9H,1-6,15H2,(H,17,20) |
InChI Key: | LYIUVLMHHXZHBQ-UHFFFAOYSA-N |
Density: | 1.8±0.1 g/cm3 |
Complexity: | 431 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 295.1199879 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 295.1199879 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 85.8 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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