1-Propyl-4-(6,7,8,9-Tetrahydro-5H-[1,2,4]Triazolo[4,3-A]Azepin-3-Yl)-1H-Pyrazol-3-Amine - CAS 1174856-28-0
Catalog: |
BB053152 |
Product Name: |
1-Propyl-4-(6,7,8,9-Tetrahydro-5H-[1,2,4]Triazolo[4,3-A]Azepin-3-Yl)-1H-Pyrazol-3-Amine |
CAS: |
1174856-28-0 |
Synonyms: |
1-propyl-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1H-pyrazol-3-amine |
IUPAC Name: | 1-propyl-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrazol-3-amine |
Molecular Weight: | 260.34 |
Molecular Formula: | C13H20N6 |
Canonical SMILES: | CCCN1C=C(C(=N1)N)C2=NN=C3N2CCCCC3 |
InChI: | InChI=1S/C13H20N6/c1-2-7-18-9-10(12(14)17-18)13-16-15-11-6-4-3-5-8-19(11)13/h9H,2-8H2,1H3,(H2,14,17) |
InChI Key: | BZIXYKLWQQNEAP-UHFFFAOYSA-N |
Boiling Point: | 515.8±60.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
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: | 1 |
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