1-[2-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propan-2-yl]pyrazol-4-amine hydrochloride - CAS 1431966-75-4
Catalog: |
BB053204 |
Product Name: |
1-[2-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propan-2-yl]pyrazol-4-amine hydrochloride |
CAS: |
1431966-75-4 |
Synonyms: |
1-[1-Methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-1h-pyrazol-4-aminehydrochloride |
IUPAC Name: | 1-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propan-2-yl]pyrazol-4-amine;hydrochloride |
Molecular Weight: | 296.8 |
Molecular Formula: | C13H21ClN6 |
Canonical SMILES: | CC(C)(C1=NN=C2N1CCCCC2)N3C=C(C=N3)N.Cl |
InChI: | InChI=1S/C13H20N6.ClH/c1-13(2,19-9-10(14)8-15-19)12-17-16-11-6-4-3-5-7-18(11)12;/h8-9H,3-7,14H2,1-2H3;1H |
InChI Key: | HNMQCYKZXISJOA-UHFFFAOYSA-N |
Complexity: | 320 |
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: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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