N-pyridin-2-yl-N'-quinoxalin-2-ylethane-1,2-diamine

C15H15N5 — CID 33372985

IUPACN-pyridin-2-yl-N'-quinoxalin-2-ylethane-1,2-diamine
SMILESc1ccc(NCCNc2cnc3ccccc3n2)nc1
InChIInChI=1S/C15H15N5/c1-2-6-13-12(5-1)19-11-15(20-13)18-10-9-17-14-7-3-4-8-16-14/h1-8,11H,9-10H2,(H,16,17)(H,18,20)
InChIKeyHLLUURKBWQYOBD-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.55
Rot. Bonds5

About N-pyridin-2-yl-N'-quinoxalin-2-ylethane-1,2-diamine

N-pyridin-2-yl-N'-quinoxalin-2-ylethane-1,2-diamine (PubChem CID 33372985) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-pyridin-2-yl-N'-quinoxalin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-pyridin-2-yl-N'-quinoxalin-2-ylethane-1,2-diamine
PubChem CID33372985
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC NameN-pyridin-2-yl-N'-quinoxalin-2-ylethane-1,2-diamine
SMILESc1ccc(NCCNc2cnc3ccccc3n2)nc1
InChIInChI=1S/C15H15N5/c1-2-6-13-12(5-1)19-11-15(20-13)18-10-9-17-14-7-3-4-8-16-14/h1-8,11H,9-10H2,(H,16,17)(H,18,20)
InChIKeyHLLUURKBWQYOBD-UHFFFAOYSA-N
XLogP2.55
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-N'-quinoxalin-2-ylethane-1,2-diamine?
The IUPAC name of N-pyridin-2-yl-N'-quinoxalin-2-ylethane-1,2-diamine (CID 33372985) is N-pyridin-2-yl-N'-quinoxalin-2-ylethane-1,2-diamine.
What is the SMILES notation for N-pyridin-2-yl-N'-quinoxalin-2-ylethane-1,2-diamine?
The canonical SMILES for N-pyridin-2-yl-N'-quinoxalin-2-ylethane-1,2-diamine is c1ccc(NCCNc2cnc3ccccc3n2)nc1.
What is the InChIKey of N-pyridin-2-yl-N'-quinoxalin-2-ylethane-1,2-diamine?
The InChIKey is HLLUURKBWQYOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-2-6-13-12(5-1)19-11-15(20-13)18-10-9-17-14-7-3-4-8-16-14/h1-8,11H,9-10H2,(H,16,17)(H,18,20).
What are the key properties of N-pyridin-2-yl-N'-quinoxalin-2-ylethane-1,2-diamine?
N-pyridin-2-yl-N'-quinoxalin-2-ylethane-1,2-diamine has a molecular weight of 265.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-N'-quinoxalin-2-ylethane-1,2-diamine is sourced from PubChem (CID 33372985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).