1-{5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}-3-methylbutan-1-amine dihydrochloride - CAS 1049767-43-2
Catalog: |
BB001536 |
Product Name: |
1-{5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}-3-methylbutan-1-amine dihydrochloride |
CAS: |
1049767-43-2 |
Synonyms: |
1-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-3-methyl-1-butanamine;dihydrochloride; 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-3-methylbutan-1-amine;dihydrochloride |
IUPAC Name: | 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-3-methylbutan-1-amine;dihydrochloride |
Description: | 1-{5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}-3-methylbutan-1-amine dihydrochloride (CAS# 1049767-43-2 ) is a useful research chemical. |
Molecular Weight: | 306.235 |
Molecular Formula: | C12H21Cl2N5 |
Canonical SMILES: | CC1=CC(=NC2=NN=C(N12)C(CC(C)C)N)C.Cl.Cl |
InChI: | InChI=1S/C12H19N5.2ClH/c1-7(2)5-10(13)11-15-16-12-14-8(3)6-9(4)17(11)12;;/h6-7,10H,5,13H2,1-4H3;2*1H |
InChI Key: | WPHCLJRJEGGQKP-UHFFFAOYSA-N |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 305.1174011000001 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 305.1174011000001 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 69.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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