3,5-dimethyl-1-(2-methylbenzene-4-id-1-yl)-1,2,4-triazole;yttrium

C11H12N3Y- — CID 159192408

IUPAC3,5-dimethyl-1-(2-methylbenzene-4-id-1-yl)-1,2,4-triazole;yttrium
SMILESCc1nc(C)n(-c2cc[c-]cc2C)n1.[Y]
InChIInChI=1S/C11H12N3.Y/c1-8-6-4-5-7-11(8)14-10(3)12-9(2)13-14;/h5-7H,1-3H3;/q-1;
InChIKeyQEIVBRPLVKZHEH-UHFFFAOYSA-N
MW275.14 g/mol
LogP1.99
Rot. Bonds1

About 3,5-dimethyl-1-(2-methylbenzene-4-id-1-yl)-1,2,4-triazole;yttrium

3,5-dimethyl-1-(2-methylbenzene-4-id-1-yl)-1,2,4-triazole;yttrium (PubChem CID 159192408) has the molecular formula C11H12N3Y- and a molecular weight of 275.14 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-methylbenzene-4-id-1-yl)-1,2,4-triazole;yttrium.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-methylbenzene-4-id-1-yl)-1,2,4-triazole;yttrium
PubChem CID159192408
Molecular FormulaC11H12N3Y-
Molecular Weight275.14 g/mol
Exact Mass275.01
IUPAC Name3,5-dimethyl-1-(2-methylbenzene-4-id-1-yl)-1,2,4-triazole;yttrium
SMILESCc1nc(C)n(-c2cc[c-]cc2C)n1.[Y]
InChIInChI=1S/C11H12N3.Y/c1-8-6-4-5-7-11(8)14-10(3)12-9(2)13-14;/h5-7H,1-3H3;/q-1;
InChIKeyQEIVBRPLVKZHEH-UHFFFAOYSA-N
XLogP1.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 51.99
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

5-Methyl-1-(2-methylbenzene-4-id-1-yl)-3-(trifluoromethyl)-1,2,4-triazole;yttrium
CID 59532599
3-methyl-4-[(2E)-4-methylpenta-2,4-dien-2-yl]-5-(trifluoromethyl)-1,2,4-triazole
CID 141951063
CID 57621496
CID 57621496
CID 57621508
CID 57621508
(8Z)-8-ethylidene-2,6,7-trimethyl-5-methylidene-[1,2,4]triazolo[1,5-a]pyridine
CID 60042571
5,6-Bis(ethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123240038
2-(3,5-Dimethyl-1,2,4-triazol-1-yl)-4-ethenyl-6-methylidenepyridin-1-ide
CID 123725012
5-Ethenyl-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123987415
3,5-dimethyl-4-[(3E,5E,7Z)-5-prop-1-en-2-ylnona-1,3,5,7-tetraen-4-yl]-1,2,4-triazole
CID 142902860
4-Cyclohexa-1,5-dien-1-yl-3,5-dimethyl-1,2,4-triazole;ethane
CID 144668192
4-Cyclohexa-1,5-dien-1-yl-3,5-dimethyl-1,2,4-triazole;ethane
CID 144668194
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3,5-dimethyl-1,2,4-triazole
CID 153554069

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-methylbenzene-4-id-1-yl)-1,2,4-triazole;yttrium?
The IUPAC name of 3,5-dimethyl-1-(2-methylbenzene-4-id-1-yl)-1,2,4-triazole;yttrium (CID 159192408) is 3,5-dimethyl-1-(2-methylbenzene-4-id-1-yl)-1,2,4-triazole;yttrium.
What is the SMILES notation for 3,5-dimethyl-1-(2-methylbenzene-4-id-1-yl)-1,2,4-triazole;yttrium?
The canonical SMILES for 3,5-dimethyl-1-(2-methylbenzene-4-id-1-yl)-1,2,4-triazole;yttrium is Cc1nc(C)n(-c2cc[c-]cc2C)n1.[Y].
What is the InChIKey of 3,5-dimethyl-1-(2-methylbenzene-4-id-1-yl)-1,2,4-triazole;yttrium?
The InChIKey is QEIVBRPLVKZHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N3.Y/c1-8-6-4-5-7-11(8)14-10(3)12-9(2)13-14;/h5-7H,1-3H3;/q-1;.
What are the key properties of 3,5-dimethyl-1-(2-methylbenzene-4-id-1-yl)-1,2,4-triazole;yttrium?
3,5-dimethyl-1-(2-methylbenzene-4-id-1-yl)-1,2,4-triazole;yttrium has a molecular weight of 275.14 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2-methylbenzene-4-id-1-yl)-1,2,4-triazole;yttrium is sourced from PubChem (CID 159192408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).