propane;3H-quinoxalin-3-ide-6-carbonitrile;yttrium

C12H11N3Y-2 — CID 58547547

IUPACpropane;3H-quinoxalin-3-ide-6-carbonitrile;yttrium
SMILESC[CH-]C.N#Cc1ccc2nc[c-]nc2c1.[Y]
InChIInChI=1S/C9H4N3.C3H7.Y/c10-6-7-1-2-8-9(5-7)12-4-3-11-8;1-3-2;/h1-3,5H;3H,1-2H3;/q2*-1;
InChIKeyYQKSAOPAHWNAOT-UHFFFAOYSA-N
MW286.15 g/mol
LogP2.53
Rot. Bonds

About propane;3H-quinoxalin-3-ide-6-carbonitrile;yttrium

propane;3H-quinoxalin-3-ide-6-carbonitrile;yttrium (PubChem CID 58547547) has the molecular formula C12H11N3Y-2 and a molecular weight of 286.15 g/mol. Its IUPAC name is propane;3H-quinoxalin-3-ide-6-carbonitrile;yttrium.

Molecular Properties

Compound Namepropane;3H-quinoxalin-3-ide-6-carbonitrile;yttrium
PubChem CID58547547
Molecular FormulaC12H11N3Y-2
Molecular Weight286.15 g/mol
Exact Mass286.00
IUPAC Namepropane;3H-quinoxalin-3-ide-6-carbonitrile;yttrium
SMILESC[CH-]C.N#Cc1ccc2nc[c-]nc2c1.[Y]
InChIInChI=1S/C9H4N3.C3H7.Y/c10-6-7-1-2-8-9(5-7)12-4-3-11-8;1-3-2;/h1-3,5H;3H,1-2H3;/q2*-1;
InChIKeyYQKSAOPAHWNAOT-UHFFFAOYSA-N
XLogP2.53
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.15
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;7-methyl-4H-quinolin-4-ide;yttrium
CID 57629436
7-methyl-2H-quinoxalin-2-ide;propane;yttrium
CID 58546773
7-fluoro-2H-quinoxalin-2-ide;propane;yttrium
CID 58547028
7-methyl-2H-quinazolin-2-ide;propane;yttrium
CID 58547041
propane;2H-quinazolin-2-ide-7-carbonitrile;yttrium
CID 58547644
1-methyl-5H-isoquinolin-5-ide;yttrium
CID 59098083
carbanide;5H-quinolin-5-ide-3-carbonitrile;yttrium
CID 60097792
7H-indole-5-carbonitrile
CID 68328624
1-Methyl-6,7-dihydroisoquinoline
CID 68343208
lithium 6-methyl-4H-quinolin-4-ide
CID 88830266
1,8-Dimethyl-6,7-dihydroisoquinoline
CID 89495196
2,3-Dihydro-1,7-naphthyridine
CID 91050521

Frequently Asked Questions

What is the IUPAC name of propane;3H-quinoxalin-3-ide-6-carbonitrile;yttrium?
The IUPAC name of propane;3H-quinoxalin-3-ide-6-carbonitrile;yttrium (CID 58547547) is propane;3H-quinoxalin-3-ide-6-carbonitrile;yttrium.
What is the SMILES notation for propane;3H-quinoxalin-3-ide-6-carbonitrile;yttrium?
The canonical SMILES for propane;3H-quinoxalin-3-ide-6-carbonitrile;yttrium is C[CH-]C.N#Cc1ccc2nc[c-]nc2c1.[Y].
What is the InChIKey of propane;3H-quinoxalin-3-ide-6-carbonitrile;yttrium?
The InChIKey is YQKSAOPAHWNAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4N3.C3H7.Y/c10-6-7-1-2-8-9(5-7)12-4-3-11-8;1-3-2;/h1-3,5H;3H,1-2H3;/q2*-1;.
What are the key properties of propane;3H-quinoxalin-3-ide-6-carbonitrile;yttrium?
propane;3H-quinoxalin-3-ide-6-carbonitrile;yttrium has a molecular weight of 286.15 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane;3H-quinoxalin-3-ide-6-carbonitrile;yttrium is sourced from PubChem (CID 58547547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).