4-methyl-5H-quinazolin-5-ide;yttrium

C9H7N2Y- — CID 58945779

IUPAC4-methyl-5H-quinazolin-5-ide;yttrium
SMILESCc1ncnc2ccc[c-]c12.[Y]
InChIInChI=1S/C9H7N2.Y/c1-7-8-4-2-3-5-9(8)11-6-10-7;/h2-3,5-6H,1H3;/q-1;
InChIKeyXNULRCGJDKCIIR-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.74
Rot. Bonds

About 4-methyl-5H-quinazolin-5-ide;yttrium

4-methyl-5H-quinazolin-5-ide;yttrium (PubChem CID 58945779) has the molecular formula C9H7N2Y- and a molecular weight of 232.08 g/mol. Its IUPAC name is 4-methyl-5H-quinazolin-5-ide;yttrium.

Molecular Properties

Compound Name4-methyl-5H-quinazolin-5-ide;yttrium
PubChem CID58945779
Molecular FormulaC9H7N2Y-
Molecular Weight232.08 g/mol
Exact Mass231.97
IUPAC Name4-methyl-5H-quinazolin-5-ide;yttrium
SMILESCc1ncnc2ccc[c-]c12.[Y]
InChIInChI=1S/C9H7N2.Y/c1-7-8-4-2-3-5-9(8)11-6-10-7;/h2-3,5-6H,1H3;/q-1;
InChIKeyXNULRCGJDKCIIR-UHFFFAOYSA-N
XLogP1.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Imidazocarbazole
CID 21887508
2,4-dimethyl-5H-pyrimido[4,5-b]indole
CID 19067856
Imidazo[4,5-c]carbazole
CID 21887054
1H-pyrimido[5,4-a]carbazole
CID 21887286
7-methyl-2H-quinazolin-2-ide;propane;yttrium
CID 58547041
4-methyl-8H-quinazolin-8-ide;yttrium
CID 58945777
4-Methyl-6,7-dihydroquinazoline
CID 59065946
4,6-dimethyl-2H-quinazolin-2-ide;yttrium
CID 60007882
(5E)-4-methyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidine
CID 89038797
(4E,5E)-4-ethylidene-6-methyl-5-(2-methylprop-2-enylidene)pyrimidine
CID 90136221
Iodomethane;4-methyl-6,7-dihydroquinazoline
CID 90762040
Ethane;4-methyl-6,7-dihydroquinazoline
CID 90864738

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5H-quinazolin-5-ide;yttrium?
The IUPAC name of 4-methyl-5H-quinazolin-5-ide;yttrium (CID 58945779) is 4-methyl-5H-quinazolin-5-ide;yttrium.
What is the SMILES notation for 4-methyl-5H-quinazolin-5-ide;yttrium?
The canonical SMILES for 4-methyl-5H-quinazolin-5-ide;yttrium is Cc1ncnc2ccc[c-]c12.[Y].
What is the InChIKey of 4-methyl-5H-quinazolin-5-ide;yttrium?
The InChIKey is XNULRCGJDKCIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N2.Y/c1-7-8-4-2-3-5-9(8)11-6-10-7;/h2-3,5-6H,1H3;/q-1;.
What are the key properties of 4-methyl-5H-quinazolin-5-ide;yttrium?
4-methyl-5H-quinazolin-5-ide;yttrium has a molecular weight of 232.08 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5H-quinazolin-5-ide;yttrium is sourced from PubChem (CID 58945779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).