2-amino-1-(3-aminopropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonitrile - CAS 843622-49-1
Catalog: |
BB037179 |
Product Name: |
2-amino-1-(3-aminopropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonitrile |
CAS: |
843622-49-1 |
Synonyms: |
2-amino-1-(3-aminopropyl)-3-pyrrolo[3,2-b]quinoxalinecarbonitrile; 2-amino-1-(3-aminopropyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile |
IUPAC Name: | 2-amino-1-(3-aminopropyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile |
Description: | 2-amino-1-(3-aminopropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonitrile (CAS# 843622-49-1 ) is a useful research chemical. |
Molecular Weight: | 266.308 |
Molecular Formula: | C14H14N6 |
Canonical SMILES: | C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)CCCN)N)C#N |
InChI: | InChI=1S/C14H14N6/c15-6-3-7-20-13(17)9(8-16)12-14(20)19-11-5-2-1-4-10(11)18-12/h1-2,4-5H,3,6-7,15,17H2 |
InChI Key: | HUUPYUNBFVEMGR-UHFFFAOYSA-N |
Complexity: | 390 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.12799447 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.12799447 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 107 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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