5-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1H-pyrazol-4-amine hydrochloride - CAS 1431964-81-6
Catalog: |
BB053188 |
Product Name: |
5-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1H-pyrazol-4-amine hydrochloride |
CAS: |
1431964-81-6 |
Synonyms: |
3-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1h-pyrazol-4-aminehydrochloride |
IUPAC Name: | 5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1H-pyrazol-4-amine;hydrochloride |
Molecular Weight: | 254.72 |
Molecular Formula: | C10H15ClN6 |
Canonical SMILES: | C1CCC2=NN=C(N2CC1)C3=C(C=NN3)N.Cl |
InChI: | InChI=1S/C10H14N6.ClH/c11-7-6-12-14-9(7)10-15-13-8-4-2-1-3-5-16(8)10;/h6H,1-5,11H2,(H,12,14);1H |
InChI Key: | FLGWHDQOOQSUAP-UHFFFAOYSA-N |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.1046722 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.1046722 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 85.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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