N-prop-2-ynylquinoxalin-6-amine

C11H9N3 — CID 63953900

IUPACN-prop-2-ynylquinoxalin-6-amine
SMILESC#CCNc1ccc2nccnc2c1
InChIInChI=1S/C11H9N3/c1-2-5-12-9-3-4-10-11(8-9)14-7-6-13-10/h1,3-4,6-8,12H,5H2
InChIKeyNFVVUJWGJOLYOK-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.67
Rot. Bonds2

About N-prop-2-ynylquinoxalin-6-amine

N-prop-2-ynylquinoxalin-6-amine (PubChem CID 63953900) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-prop-2-ynylquinoxalin-6-amine.

Molecular Properties

Compound NameN-prop-2-ynylquinoxalin-6-amine
PubChem CID63953900
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC NameN-prop-2-ynylquinoxalin-6-amine
SMILESC#CCNc1ccc2nccnc2c1
InChIInChI=1S/C11H9N3/c1-2-5-12-9-3-4-10-11(8-9)14-7-6-13-10/h1,3-4,6-8,12H,5H2
InChIKeyNFVVUJWGJOLYOK-UHFFFAOYSA-N
XLogP1.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynylquinoxalin-6-amine?
The IUPAC name of N-prop-2-ynylquinoxalin-6-amine (CID 63953900) is N-prop-2-ynylquinoxalin-6-amine.
What is the SMILES notation for N-prop-2-ynylquinoxalin-6-amine?
The canonical SMILES for N-prop-2-ynylquinoxalin-6-amine is C#CCNc1ccc2nccnc2c1.
What is the InChIKey of N-prop-2-ynylquinoxalin-6-amine?
The InChIKey is NFVVUJWGJOLYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-2-5-12-9-3-4-10-11(8-9)14-7-6-13-10/h1,3-4,6-8,12H,5H2.
What are the key properties of N-prop-2-ynylquinoxalin-6-amine?
N-prop-2-ynylquinoxalin-6-amine has a molecular weight of 183.21 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynylquinoxalin-6-amine is sourced from PubChem (CID 63953900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).