3-Methyl-1-[1-(6,7,8,9-Tetrahydro-5H-[1,2,4]Triazolo[4,3-A]Azepin-3-Yl)Ethyl]-1h-Pyrazol-4-Amine Hydrochloride - CAS 1431966-49-2
Catalog: |
BB053140 |
Product Name: |
3-Methyl-1-[1-(6,7,8,9-Tetrahydro-5H-[1,2,4]Triazolo[4,3-A]Azepin-3-Yl)Ethyl]-1h-Pyrazol-4-Amine Hydrochloride |
CAS: |
1431966-49-2 |
Synonyms: |
3-Methyl-1-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-1h-pyrazol-4-aminehydrochloride |
IUPAC Name: | 3-methyl-1-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyrazol-4-amine;hydrochloride |
Molecular Weight: | 296.8 |
Molecular Formula: | C13H21ClN6 |
Canonical SMILES: | CC1=NN(C=C1N)C(C)C2=NN=C3N2CCCCC3.Cl |
InChI: | InChI=1S/C13H20N6.ClH/c1-9-11(14)8-19(17-9)10(2)13-16-15-12-6-4-3-5-7-18(12)13;/h8,10H,3-7,14H2,1-2H3;1H |
InChI Key: | UFLQLTGKNFZQBJ-UHFFFAOYSA-N |
Complexity: | 312 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.1516224 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.1516224 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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