5-Methyl-1-(1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl)-1H-pyrazol-3-amine - CAS 1174852-26-6
Catalog: |
BB053160 |
Product Name: |
5-Methyl-1-(1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl)-1H-pyrazol-3-amine |
CAS: |
1174852-26-6 |
Synonyms: |
5-methyl-1-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]-1H-pyrazol-3-amine |
IUPAC Name: | 5-methyl-1-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]pyrazol-3-amine |
Molecular Weight: | 274.36 |
Molecular Formula: | C14H22N6 |
Canonical SMILES: | CCC(C1=NN=C2N1CCCCC2)N3C(=CC(=N3)N)C |
InChI: | InChI=1S/C14H22N6/c1-3-11(20-10(2)9-12(15)18-20)14-17-16-13-7-5-4-6-8-19(13)14/h9,11H,3-8H2,1-2H3,(H2,15,18) |
InChI Key: | XPASYKRTTCTJMN-UHFFFAOYSA-N |
Boiling Point: | 510.9±60.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 325 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.19059473 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.19059473 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 74.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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