1-Methyl-4-nitro-1,2,3-triazole - CAS 107945-66-4
Catalog: |
BB002150 |
Product Name: |
1-Methyl-4-nitro-1,2,3-triazole |
CAS: |
107945-66-4 |
Synonyms: |
1-methyl-4-nitrotriazole; 1-methyl-4-nitrotriazole |
IUPAC Name: | 1-methyl-4-nitrotriazole |
Description: | 1-Methyl-4-nitro-1,2,3-triazole (CAS# 107945-66-4 ) is a useful research chemical. |
Molecular Weight: | 128.09 |
Molecular Formula: | C3H4N4O2 |
Canonical SMILES: | CN1C=C(N=N1)[N+](=O)[O-] |
InChI: | InChI=1S/C3H4N4O2/c1-6-2-3(4-5-6)7(8)9/h2H,1H3 |
InChI Key: | QSSICHXGTFGQSX-UHFFFAOYSA-N |
LogP: | 0.24650 |
Publication Number | Title | Priority Date |
US-2013116235-A1 | Heteroaryl pyridone and aza-pyridone compounds | 20111103 |
US-2013116246-A1 | 8-fluorophthalazin-1(2h)-one compounds | 20111103 |
US-2014128401-A1 | 8-fluorophthalazin-1(2h)-one compounds | 20111103 |
US-2014194408-A1 | Heteroaryl pyridone and aza-pyridone compounds | 20111103 |
US-2014378432-A1 | Heteroaryl pyridone and aza-pyridone compounds | 20111103 |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.03342538 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.03342538 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 76.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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