3-Methyl-1-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyrazol-4-amine hydrochloride - CAS 1431965-65-9
Catalog: |
BB053155 |
Product Name: |
3-Methyl-1-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyrazol-4-amine hydrochloride |
CAS: |
1431965-65-9 |
Synonyms: |
3-methyl-1-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-1H-pyrazol-4-amine |
IUPAC Name: | 3-methyl-1-[2-(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)CCC2=NN=C3N2CCCCC3.Cl |
InChI: | InChI=1S/C13H20N6.ClH/c1-10-11(14)9-18(17-10)8-6-13-16-15-12-5-3-2-4-7-19(12)13;/h9H,2-8,14H2,1H3;1H |
InChI Key: | IEEZXCFWLKZCAP-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: | 0.5 |
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