3-((3-Methyl-1H-pyrazol-1-yl)methyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole - CAS 1429419-69-1
Catalog: |
BB053211 |
Product Name: |
3-((3-Methyl-1H-pyrazol-1-yl)methyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole |
CAS: |
1429419-69-1 |
Synonyms: |
3-[(3-methyl-1H-pyrazol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole |
IUPAC Name: | 3-[(3-methylpyrazol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole |
Molecular Weight: | 203.24 |
Molecular Formula: | C10H13N5 |
Canonical SMILES: | CC1=NN(C=C1)CC2=NN=C3N2CCC3 |
InChI: | InChI=1S/C10H13N5/c1-8-4-6-14(13-8)7-10-12-11-9-3-2-5-15(9)10/h4,6H,2-3,5,7H2,1H3 |
InChI Key: | ZIHQDIBPVIRJEQ-UHFFFAOYSA-N |
Boiling Point: | 411.5±47.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.11709544 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.11709544 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 48.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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