1-[1-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]pyrazol-4-amine hydrochloride - CAS 1431964-42-9
Catalog: |
BB053164 |
Product Name: |
1-[1-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]pyrazol-4-amine hydrochloride |
CAS: |
1431964-42-9 |
Synonyms: |
1-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]-1H-pyrazol-4-amine |
IUPAC Name: | 1-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]pyrazol-4-amine;hydrochloride |
Molecular Weight: | 296.8 |
Molecular Formula: | C13H21ClN6 |
Canonical SMILES: | CCC(C1=NN=C2N1CCCCC2)N3C=C(C=N3)N.Cl |
InChI: | InChI=1S/C13H20N6.ClH/c1-2-11(19-9-10(14)8-15-19)13-17-16-12-6-4-3-5-7-18(12)13;/h8-9,11H,2-7,14H2,1H3;1H |
InChI Key: | YJKQWMZVNQJNSD-UHFFFAOYSA-N |
Purity: | 95% |
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: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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