| CAS Number | 1521340-43-1 |
| Catalog Number | AG01BF0U |
| Chemical Name | 1-({5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}methyl)-1H-pyrazol-4-amine |
| IUPAC Name | 1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-amine |
| InChI | InChI=1S/C10H14N6/c11-8-5-12-15(6-8)7-10-14-13-9-3-1-2-4-16(9)10/h5-6H,1-4,7,11H2 |
| InChI Key | ORIUWFNGETZMDI-UHFFFAOYSA-N |
| MDL Number | MFCD24036073 |
| Molecular Formula | C10H14N6 |
| Molecular Weight | 218.2584 |
| SMILES | NC1=CN(CC2N3C(CCCC3)=NN=2)N=C1 |
| Synonyms | 1521340-43-1,
1-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl}-1H-pyrazol-4-amine,
ZINC87978297,
AKOS019626414,
Z1889902488,
1-({5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}methyl)-1H-pyrazol-4-amine,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.264g/mol |
| Monoisotopic Mass | 218.128g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
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