1,4-dimethyl-6H-triazolo[4,5-c]pyridin-6-ide;yttrium

C7H7N4Y- — CID 59708814

IUPAC1,4-dimethyl-6H-triazolo[4,5-c]pyridin-6-ide;yttrium
SMILESCc1n[c-]cc2c1nnn2C.[Y]
InChIInChI=1S/C7H7N4.Y/c1-5-7-6(3-4-8-5)11(2)10-9-7;/h3H,1-2H3;/q-1;
InChIKeyROXWQDGUAYBBNP-UHFFFAOYSA-N
MW236.07 g/mol
LogP0.47
Rot. Bonds

About 1,4-dimethyl-6H-triazolo[4,5-c]pyridin-6-ide;yttrium

1,4-dimethyl-6H-triazolo[4,5-c]pyridin-6-ide;yttrium (PubChem CID 59708814) has the molecular formula C7H7N4Y- and a molecular weight of 236.07 g/mol. Its IUPAC name is 1,4-dimethyl-6H-triazolo[4,5-c]pyridin-6-ide;yttrium.

Molecular Properties

Compound Name1,4-dimethyl-6H-triazolo[4,5-c]pyridin-6-ide;yttrium
PubChem CID59708814
Molecular FormulaC7H7N4Y-
Molecular Weight236.07 g/mol
Exact Mass235.97
IUPAC Name1,4-dimethyl-6H-triazolo[4,5-c]pyridin-6-ide;yttrium
SMILESCc1n[c-]cc2c1nnn2C.[Y]
InChIInChI=1S/C7H7N4.Y/c1-5-7-6(3-4-8-5)11(2)10-9-7;/h3H,1-2H3;/q-1;
InChIKeyROXWQDGUAYBBNP-UHFFFAOYSA-N
XLogP0.47
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.07
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6H-triazolo[4,5-c]pyridin-6-ide;yttrium?
The IUPAC name of 1,4-dimethyl-6H-triazolo[4,5-c]pyridin-6-ide;yttrium (CID 59708814) is 1,4-dimethyl-6H-triazolo[4,5-c]pyridin-6-ide;yttrium.
What is the SMILES notation for 1,4-dimethyl-6H-triazolo[4,5-c]pyridin-6-ide;yttrium?
The canonical SMILES for 1,4-dimethyl-6H-triazolo[4,5-c]pyridin-6-ide;yttrium is Cc1n[c-]cc2c1nnn2C.[Y].
What is the InChIKey of 1,4-dimethyl-6H-triazolo[4,5-c]pyridin-6-ide;yttrium?
The InChIKey is ROXWQDGUAYBBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N4.Y/c1-5-7-6(3-4-8-5)11(2)10-9-7;/h3H,1-2H3;/q-1;.
What are the key properties of 1,4-dimethyl-6H-triazolo[4,5-c]pyridin-6-ide;yttrium?
1,4-dimethyl-6H-triazolo[4,5-c]pyridin-6-ide;yttrium has a molecular weight of 236.07 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6H-triazolo[4,5-c]pyridin-6-ide;yttrium is sourced from PubChem (CID 59708814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).