5-Methyl-1-(2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl)pyrazol-3-amine - CAS 1174854-44-4
Catalog: |
BB042963 |
Product Name: |
5-Methyl-1-(2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl)pyrazol-3-amine |
CAS: |
1174854-44-4 |
Synonyms: |
5-Methyl-1-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-1H-pyrazol-3-amine; SBB026980; STK510352 |
IUPAC Name: | 5-methyl-1-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyrazol-3-amine |
Description: | 5-Methyl-1-(2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl)pyrazol-3-amine (CAS# 1174854-44-4 ) is a useful research chemical. |
Molecular Weight: | 260.34 |
Molecular Formula: | C13H20N6 |
Canonical SMILES: | CC1=CC(=NN1CCC2=NN=C3N2CCCCC3)N |
InChI: | InChI=1S/C13H20N6/c1-10-9-11(14)17-19(10)8-6-13-16-15-12-5-3-2-4-7-18(12)13/h9H,2-8H2,1H3,(H2,14,17) |
InChI Key: | VUMRJAIDQDZSHV-UHFFFAOYSA-N |
Complexity: | 299 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.17494466 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.17494466 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 74.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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