quinoxalin-5-ylmethanimine

C9H7N3 — CID 155311629

IUPACquinoxalin-5-ylmethanimine
SMILES[H]/N=C/c1cccc2nccnc12
InChIInChI=1S/C9H7N3/c10-6-7-2-1-3-8-9(7)12-5-4-11-8/h1-6,10H/b10-6+
InChIKeyFHKPUIBFPAJUED-UXBLZVDNSA-N
MW157.18 g/mol
LogP1.63
Rot. Bonds1

About quinoxalin-5-ylmethanimine

quinoxalin-5-ylmethanimine (PubChem CID 155311629) has the molecular formula C9H7N3 and a molecular weight of 157.18 g/mol. Its IUPAC name is quinoxalin-5-ylmethanimine.

Molecular Properties

Compound Namequinoxalin-5-ylmethanimine
PubChem CID155311629
Molecular FormulaC9H7N3
Molecular Weight157.18 g/mol
Exact Mass157.06
IUPAC Namequinoxalin-5-ylmethanimine
SMILES[H]/N=C/c1cccc2nccnc12
InChIInChI=1S/C9H7N3/c10-6-7-2-1-3-8-9(7)12-5-4-11-8/h1-6,10H/b10-6+
InChIKeyFHKPUIBFPAJUED-UXBLZVDNSA-N
XLogP1.63
TPSA49.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tris(pyrazino[2,3-f]quinoxaline);ruthenium
CID 57355129
(2-methyl-1,3-benzothiazol-7-yl)methanimine
CID 135395748
(2-phenyl-3-pyridinyl)methanimine
CID 90856278
5-ethynylquinoxaline
CID 87150126
cyclohexane;iron(3+);bis(2-methanimidoylphenolate);chloride
CID 45110648
(2,3-dichlorophenyl)methanimine
CID 21094549
2-methanimidoylpyridine-3-carbaldehyde
CID 139520379
(2-iodophenyl)methanimine
CID 91565501
formonitrile;quinoxaline
CID 70466882
[2-[(Z)-but-1-enyl]phenyl]methanimine
CID 130239187
iron;quinoxaline
CID 161047921
16,19-diazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 175569006

Frequently Asked Questions

What is the IUPAC name of quinoxalin-5-ylmethanimine?
The IUPAC name of quinoxalin-5-ylmethanimine (CID 155311629) is quinoxalin-5-ylmethanimine.
What is the SMILES notation for quinoxalin-5-ylmethanimine?
The canonical SMILES for quinoxalin-5-ylmethanimine is [H]/N=C/c1cccc2nccnc12.
What is the InChIKey of quinoxalin-5-ylmethanimine?
The InChIKey is FHKPUIBFPAJUED-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H7N3/c10-6-7-2-1-3-8-9(7)12-5-4-11-8/h1-6,10H/b10-6+.
What are the key properties of quinoxalin-5-ylmethanimine?
quinoxalin-5-ylmethanimine has a molecular weight of 157.18 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxalin-5-ylmethanimine is sourced from PubChem (CID 155311629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).