3,7-dimethyl-5H-triazolo[4,5-b]pyridin-5-ide;yttrium

C7H7N4Y- — CID 59708899

IUPAC3,7-dimethyl-5H-triazolo[4,5-b]pyridin-5-ide;yttrium
SMILESCc1c[c-]nc2c1nnn2C.[Y]
InChIInChI=1S/C7H7N4.Y/c1-5-3-4-8-7-6(5)9-10-11(7)2;/h3H,1-2H3;/q-1;
InChIKeyGGNVRTKYELMLCI-UHFFFAOYSA-N
MW236.07 g/mol
LogP0.47
Rot. Bonds

About 3,7-dimethyl-5H-triazolo[4,5-b]pyridin-5-ide;yttrium

3,7-dimethyl-5H-triazolo[4,5-b]pyridin-5-ide;yttrium (PubChem CID 59708899) has the molecular formula C7H7N4Y- and a molecular weight of 236.07 g/mol. Its IUPAC name is 3,7-dimethyl-5H-triazolo[4,5-b]pyridin-5-ide;yttrium.

Molecular Properties

Compound Name3,7-dimethyl-5H-triazolo[4,5-b]pyridin-5-ide;yttrium
PubChem CID59708899
Molecular FormulaC7H7N4Y-
Molecular Weight236.07 g/mol
Exact Mass235.97
IUPAC Name3,7-dimethyl-5H-triazolo[4,5-b]pyridin-5-ide;yttrium
SMILESCc1c[c-]nc2c1nnn2C.[Y]
InChIInChI=1S/C7H7N4.Y/c1-5-3-4-8-7-6(5)9-10-11(7)2;/h3H,1-2H3;/q-1;
InChIKeyGGNVRTKYELMLCI-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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Related Compounds

3,7-Dimethyl-2,5-dihydroimidazo[4,5-b]pyridine-2,5-diide;tungsten;yttrium
CID 59708844

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-5H-triazolo[4,5-b]pyridin-5-ide;yttrium?
The IUPAC name of 3,7-dimethyl-5H-triazolo[4,5-b]pyridin-5-ide;yttrium (CID 59708899) is 3,7-dimethyl-5H-triazolo[4,5-b]pyridin-5-ide;yttrium.
What is the SMILES notation for 3,7-dimethyl-5H-triazolo[4,5-b]pyridin-5-ide;yttrium?
The canonical SMILES for 3,7-dimethyl-5H-triazolo[4,5-b]pyridin-5-ide;yttrium is Cc1c[c-]nc2c1nnn2C.[Y].
What is the InChIKey of 3,7-dimethyl-5H-triazolo[4,5-b]pyridin-5-ide;yttrium?
The InChIKey is GGNVRTKYELMLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N4.Y/c1-5-3-4-8-7-6(5)9-10-11(7)2;/h3H,1-2H3;/q-1;.
What are the key properties of 3,7-dimethyl-5H-triazolo[4,5-b]pyridin-5-ide;yttrium?
3,7-dimethyl-5H-triazolo[4,5-b]pyridin-5-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 3,7-dimethyl-5H-triazolo[4,5-b]pyridin-5-ide;yttrium is sourced from PubChem (CID 59708899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).