1-quinoxalin-5-ylpent-4-yn-1-amine

C13H13N3 — CID 105148979

IUPAC1-quinoxalin-5-ylpent-4-yn-1-amine
SMILESC#CCCC(N)c1cccc2nccnc12
InChIInChI=1S/C13H13N3/c1-2-3-6-11(14)10-5-4-7-12-13(10)16-9-8-15-12/h1,4-5,7-9,11H,3,6,14H2
InChIKeyAYQDBDUKJBMYJD-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.04
Rot. Bonds3

About 1-quinoxalin-5-ylpent-4-yn-1-amine

1-quinoxalin-5-ylpent-4-yn-1-amine (PubChem CID 105148979) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-quinoxalin-5-ylpent-4-yn-1-amine.

Molecular Properties

Compound Name1-quinoxalin-5-ylpent-4-yn-1-amine
PubChem CID105148979
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name1-quinoxalin-5-ylpent-4-yn-1-amine
SMILESC#CCCC(N)c1cccc2nccnc12
InChIInChI=1S/C13H13N3/c1-2-3-6-11(14)10-5-4-7-12-13(10)16-9-8-15-12/h1,4-5,7-9,11H,3,6,14H2
InChIKeyAYQDBDUKJBMYJD-UHFFFAOYSA-N
XLogP2.04
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-quinoxalin-5-yl-3-thiophen-2-ylpropan-1-amine
CID 105150148
3-(1-methylimidazol-2-yl)-1-quinoxalin-5-ylpropan-1-amine
CID 105187594
2-cyclohexyl-1-quinoxalin-5-ylethanamine
CID 105135471
2-(2-fluorophenyl)-1-quinoxalin-5-ylethanamine
CID 105090033
1-quinoxalin-5-ylprop-2-yn-1-ol
CID 105106188
(1S)-2,2,2-trifluoro-1-quinoxalin-5-ylethanamine
CID 66510215
2-(oxan-4-yl)-1-quinoxalin-5-ylethanamine
CID 105138578
2-(5-ethylthiophen-2-yl)-1-quinoxalin-5-ylethanamine
CID 105135907
N-ethyl-1-quinoxalin-5-ylbut-3-yn-1-amine
CID 105077278
N-methyl-1-quinolin-5-ylpent-4-yn-1-amine
CID 105149256
5-butan-2-ylquinoxaline
CID 123654553
(1S)-N-methyl-1-quinoxalin-5-ylethanamine
CID 131196182

Frequently Asked Questions

What is the IUPAC name of 1-quinoxalin-5-ylpent-4-yn-1-amine?
The IUPAC name of 1-quinoxalin-5-ylpent-4-yn-1-amine (CID 105148979) is 1-quinoxalin-5-ylpent-4-yn-1-amine.
What is the SMILES notation for 1-quinoxalin-5-ylpent-4-yn-1-amine?
The canonical SMILES for 1-quinoxalin-5-ylpent-4-yn-1-amine is C#CCCC(N)c1cccc2nccnc12.
What is the InChIKey of 1-quinoxalin-5-ylpent-4-yn-1-amine?
The InChIKey is AYQDBDUKJBMYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-2-3-6-11(14)10-5-4-7-12-13(10)16-9-8-15-12/h1,4-5,7-9,11H,3,6,14H2.
What are the key properties of 1-quinoxalin-5-ylpent-4-yn-1-amine?
1-quinoxalin-5-ylpent-4-yn-1-amine has a molecular weight of 211.27 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinoxalin-5-ylpent-4-yn-1-amine is sourced from PubChem (CID 105148979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).