(1-Methyl-5-nitro-1H-pyrazol-3-yl)methanamine - CAS 1310379-39-5
Catalog: |
BB051961 |
Product Name: |
(1-Methyl-5-nitro-1H-pyrazol-3-yl)methanamine |
CAS: |
1310379-39-5 |
Synonyms: |
(1-Methyl-5-nitro-1H-pyrazol-3-yl)methanamine |
IUPAC Name: | (1-methyl-5-nitropyrazol-3-yl)methanamine |
Molecular Weight: | 156.14 |
Molecular Formula: | C5H8N4O2 |
Canonical SMILES: | CN1C(=CC(=N1)CN)[N+](=O)[O-] |
InChI: | InChI=1S/C5H8N4O2/c1-8-5(9(10)11)2-4(3-6)7-8/h2H,3,6H2,1H3 |
InChI Key: | FRYDJVIZNBZTPP-UHFFFAOYSA-N |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.06472551 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.06472551 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 89.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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Related Functional Groups
Amines and Anilines
Oxygen Compounds
Pyrazoles
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