2-(3,4-dihydroquinoxalin-2-yl)guanidine

C9H11N5 — CID 91663467

IUPAC2-(3,4-dihydroquinoxalin-2-yl)guanidine
SMILESNC(N)=NC1=Nc2ccccc2NC1
InChIInChI=1S/C9H11N5/c10-9(11)14-8-5-12-6-3-1-2-4-7(6)13-8/h1-4,12H,5H2,(H4,10,11,13,14)
InChIKeyXUDBVRUFELARLA-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.42
Rot. Bonds

About 2-(3,4-dihydroquinoxalin-2-yl)guanidine

2-(3,4-dihydroquinoxalin-2-yl)guanidine (PubChem CID 91663467) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(3,4-dihydroquinoxalin-2-yl)guanidine.

Molecular Properties

Compound Name2-(3,4-dihydroquinoxalin-2-yl)guanidine
PubChem CID91663467
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name2-(3,4-dihydroquinoxalin-2-yl)guanidine
SMILESNC(N)=NC1=Nc2ccccc2NC1
InChIInChI=1S/C9H11N5/c10-9(11)14-8-5-12-6-3-1-2-4-7(6)13-8/h1-4,12H,5H2,(H4,10,11,13,14)
InChIKeyXUDBVRUFELARLA-UHFFFAOYSA-N
XLogP0.42
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroquinoxalin-2-yl)guanidine?
The IUPAC name of 2-(3,4-dihydroquinoxalin-2-yl)guanidine (CID 91663467) is 2-(3,4-dihydroquinoxalin-2-yl)guanidine.
What is the SMILES notation for 2-(3,4-dihydroquinoxalin-2-yl)guanidine?
The canonical SMILES for 2-(3,4-dihydroquinoxalin-2-yl)guanidine is NC(N)=NC1=Nc2ccccc2NC1.
What is the InChIKey of 2-(3,4-dihydroquinoxalin-2-yl)guanidine?
The InChIKey is XUDBVRUFELARLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c10-9(11)14-8-5-12-6-3-1-2-4-7(6)13-8/h1-4,12H,5H2,(H4,10,11,13,14).
What are the key properties of 2-(3,4-dihydroquinoxalin-2-yl)guanidine?
2-(3,4-dihydroquinoxalin-2-yl)guanidine has a molecular weight of 189.22 g/mol, XLogP of 0.42, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroquinoxalin-2-yl)guanidine is sourced from PubChem (CID 91663467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).