5-Amino-3-(3-aminopropyl)-1H-pyrazole-4-carbonitrile - CAS 113513-27-2
Catalog: |
BB074743 |
Product Name: |
5-Amino-3-(3-aminopropyl)-1H-pyrazole-4-carbonitrile |
CAS: |
113513-27-2 |
Synonyms: |
5-amino-3-(3-aminopropyl)-1H-pyrazole-4-carbonitrile; 3-amino-5-(3-aminopropyl)-1H-pyrazole-4-carbonitrile; 5-Amino-3-[3-aminopropyl]-1H-pyrazole-4-carbonitrile |
IUPAC Name: | 3-amino-5-(3-aminopropyl)-1H-pyrazole-4-carbonitrile |
Molecular Weight: | 165.2 |
Molecular Formula: | C7H11N5 |
Canonical SMILES: | C(CC1=C(C(=NN1)N)C#N)CN |
InChI: | InChI=1S/C7H11N5/c8-3-1-2-6-5(4-9)7(10)12-11-6/h1-3,8H2,(H3,10,11,12) |
InChI Key: | AALOEZGCFHDEHM-UHFFFAOYSA-N |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.10144537 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.10144537 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 105Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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