carbanide;2,3,5-trimethyl-6-(phenoxy)pyrazine;yttrium(3+)

C14H16N2OY+ — CID 21034544

IUPACcarbanide;2,3,5-trimethyl-6-(phenoxy)pyrazine;yttrium(3+)
SMILESCc1nc(C)c(Oc2cc[c-]cc2)nc1C.[CH3-].[Y+3]
InChIInChI=1S/C13H13N2O.CH3.Y/c1-9-10(2)15-13(11(3)14-9)16-12-7-5-4-6-8-12;;/h5-8H,1-3H3;1H3;/q2*-1;+3
InChIKeySPFRVNATZCRKOO-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.44
Rot. Bonds2

About carbanide;2,3,5-trimethyl-6-(phenoxy)pyrazine;yttrium(3+)

carbanide;2,3,5-trimethyl-6-(phenoxy)pyrazine;yttrium(3+) (PubChem CID 21034544) has the molecular formula C14H16N2OY+ and a molecular weight of 317.20 g/mol. Its IUPAC name is carbanide;2,3,5-trimethyl-6-(phenoxy)pyrazine;yttrium(3+).

Molecular Properties

Compound Namecarbanide;2,3,5-trimethyl-6-(phenoxy)pyrazine;yttrium(3+)
PubChem CID21034544
Molecular FormulaC14H16N2OY+
Molecular Weight317.20 g/mol
Exact Mass317.03
IUPAC Namecarbanide;2,3,5-trimethyl-6-(phenoxy)pyrazine;yttrium(3+)
SMILESCc1nc(C)c(Oc2cc[c-]cc2)nc1C.[CH3-].[Y+3]
InChIInChI=1S/C13H13N2O.CH3.Y/c1-9-10(2)15-13(11(3)14-9)16-12-7-5-4-6-8-12;;/h5-8H,1-3H3;1H3;/q2*-1;+3
InChIKeySPFRVNATZCRKOO-UHFFFAOYSA-N
XLogP3.44
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze carbanide;2,3,5-trimethyl-6-(phenoxy)pyrazine;yttrium(3+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbanide;2,3,5-trimethyl-6-(phenoxy)pyrazine;yttrium(3+)?
The IUPAC name of carbanide;2,3,5-trimethyl-6-(phenoxy)pyrazine;yttrium(3+) (CID 21034544) is carbanide;2,3,5-trimethyl-6-(phenoxy)pyrazine;yttrium(3+).
What is the SMILES notation for carbanide;2,3,5-trimethyl-6-(phenoxy)pyrazine;yttrium(3+)?
The canonical SMILES for carbanide;2,3,5-trimethyl-6-(phenoxy)pyrazine;yttrium(3+) is Cc1nc(C)c(Oc2cc[c-]cc2)nc1C.[CH3-].[Y+3].
What is the InChIKey of carbanide;2,3,5-trimethyl-6-(phenoxy)pyrazine;yttrium(3+)?
The InChIKey is SPFRVNATZCRKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N2O.CH3.Y/c1-9-10(2)15-13(11(3)14-9)16-12-7-5-4-6-8-12;;/h5-8H,1-3H3;1H3;/q2*-1;+3.
What are the key properties of carbanide;2,3,5-trimethyl-6-(phenoxy)pyrazine;yttrium(3+)?
carbanide;2,3,5-trimethyl-6-(phenoxy)pyrazine;yttrium(3+) has a molecular weight of 317.20 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2,3,5-trimethyl-6-(phenoxy)pyrazine;yttrium(3+) is sourced from PubChem (CID 21034544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).