propane;2H-quinazolin-2-ide-7-carbonitrile;yttrium

C12H11N3Y-2 — CID 58547644

IUPACpropane;2H-quinazolin-2-ide-7-carbonitrile;yttrium
SMILESC[CH-]C.N#Cc1ccc2cn[c-]nc2c1.[Y]
InChIInChI=1S/C9H4N3.C3H7.Y/c10-4-7-1-2-8-5-11-6-12-9(8)3-7;1-3-2;/h1-3,5H;3H,1-2H3;/q2*-1;
InChIKeyPOUGATULDKFLMA-UHFFFAOYSA-N
MW286.15 g/mol
LogP2.53
Rot. Bonds

About propane;2H-quinazolin-2-ide-7-carbonitrile;yttrium

propane;2H-quinazolin-2-ide-7-carbonitrile;yttrium (PubChem CID 58547644) has the molecular formula C12H11N3Y-2 and a molecular weight of 286.15 g/mol. Its IUPAC name is propane;2H-quinazolin-2-ide-7-carbonitrile;yttrium.

Molecular Properties

Compound Namepropane;2H-quinazolin-2-ide-7-carbonitrile;yttrium
PubChem CID58547644
Molecular FormulaC12H11N3Y-2
Molecular Weight286.15 g/mol
Exact Mass286.00
IUPAC Namepropane;2H-quinazolin-2-ide-7-carbonitrile;yttrium
SMILESC[CH-]C.N#Cc1ccc2cn[c-]nc2c1.[Y]
InChIInChI=1S/C9H4N3.C3H7.Y/c10-4-7-1-2-8-5-11-6-12-9(8)3-7;1-3-2;/h1-3,5H;3H,1-2H3;/q2*-1;
InChIKeyPOUGATULDKFLMA-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

7-methyl-2H-quinoxalin-2-ide;propane;yttrium
CID 58546773
7-bromo-2H-quinazolin-2-ide;propane;yttrium
CID 58546985
7-methyl-2H-quinazolin-2-ide;propane;yttrium
CID 58547041
7-chloro-2H-quinazolin-2-ide;propane;yttrium
CID 58547045
propane;3H-quinoxalin-3-ide-6-carbonitrile;yttrium
CID 58547547
7-fluoro-2H-quinazolin-2-ide;propane;yttrium
CID 58547673
4,6-dimethyl-2H-quinazolin-2-ide;yttrium
CID 60007882
4,5-bis[(Z)-prop-1-enyl]-2H-pyrimidin-2-ide;ethane;yttrium
CID 177015667

Frequently Asked Questions

What is the IUPAC name of propane;2H-quinazolin-2-ide-7-carbonitrile;yttrium?
The IUPAC name of propane;2H-quinazolin-2-ide-7-carbonitrile;yttrium (CID 58547644) is propane;2H-quinazolin-2-ide-7-carbonitrile;yttrium.
What is the SMILES notation for propane;2H-quinazolin-2-ide-7-carbonitrile;yttrium?
The canonical SMILES for propane;2H-quinazolin-2-ide-7-carbonitrile;yttrium is C[CH-]C.N#Cc1ccc2cn[c-]nc2c1.[Y].
What is the InChIKey of propane;2H-quinazolin-2-ide-7-carbonitrile;yttrium?
The InChIKey is POUGATULDKFLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4N3.C3H7.Y/c10-4-7-1-2-8-5-11-6-12-9(8)3-7;1-3-2;/h1-3,5H;3H,1-2H3;/q2*-1;.
What are the key properties of propane;2H-quinazolin-2-ide-7-carbonitrile;yttrium?
propane;2H-quinazolin-2-ide-7-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;2H-quinazolin-2-ide-7-carbonitrile;yttrium is sourced from PubChem (CID 58547644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).