3-Methoxy-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)pyrazol-4-amine hydrochloride - CAS 1431965-23-9
Catalog: |
BB053139 |
Product Name: |
3-Methoxy-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)pyrazol-4-amine hydrochloride |
CAS: |
1431965-23-9 |
Synonyms: |
3-Methoxy-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1h-pyrazol-4-aminehydrochloride |
IUPAC Name: | 3-methoxy-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)pyrazol-4-amine;hydrochloride |
Molecular Weight: | 298.77 |
Molecular Formula: | C12H19ClN6O |
Canonical SMILES: | COC1=NN(C=C1N)CC2=NN=C3N2CCCCC3.Cl |
InChI: | InChI=1S/C12H18N6O.ClH/c1-19-12-9(13)7-17(16-12)8-11-15-14-10-5-3-2-4-6-18(10)11;/h7H,2-6,8,13H2,1H3;1H |
InChI Key: | SWVGOAZSUFULIM-UHFFFAOYSA-N |
Complexity: | 304 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 298.1308869 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 298.1308869 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 83.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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