2-ethyl-4-methanidylpyrrolo[2,1-f][1,2,4]triazine;yttrium

C9H10N3Y- — CID 59298955

IUPAC2-ethyl-4-methanidylpyrrolo[2,1-f][1,2,4]triazine;yttrium
SMILES[CH2-]c1nc(CC)nn2cccc12.[Y]
InChIInChI=1S/C9H10N3.Y/c1-3-9-10-7(2)8-5-4-6-12(8)11-9;/h4-6H,2-3H2,1H3;/q-1;
InChIKeyMTHOBCJRSUFXTQ-UHFFFAOYSA-N
MW249.11 g/mol
LogP1.47
Rot. Bonds1

About 2-ethyl-4-methanidylpyrrolo[2,1-f][1,2,4]triazine;yttrium

2-ethyl-4-methanidylpyrrolo[2,1-f][1,2,4]triazine;yttrium (PubChem CID 59298955) has the molecular formula C9H10N3Y- and a molecular weight of 249.11 g/mol. Its IUPAC name is 2-ethyl-4-methanidylpyrrolo[2,1-f][1,2,4]triazine;yttrium.

Molecular Properties

Compound Name2-ethyl-4-methanidylpyrrolo[2,1-f][1,2,4]triazine;yttrium
PubChem CID59298955
Molecular FormulaC9H10N3Y-
Molecular Weight249.11 g/mol
Exact Mass248.99
IUPAC Name2-ethyl-4-methanidylpyrrolo[2,1-f][1,2,4]triazine;yttrium
SMILES[CH2-]c1nc(CC)nn2cccc12.[Y]
InChIInChI=1S/C9H10N3.Y/c1-3-9-10-7(2)8-5-4-6-12(8)11-9;/h4-6H,2-3H2,1H3;/q-1;
InChIKeyMTHOBCJRSUFXTQ-UHFFFAOYSA-N
XLogP1.47
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 51.47
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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methanidylpyrrolo[2,1-f][1,2,4]triazine;yttrium?
The IUPAC name of 2-ethyl-4-methanidylpyrrolo[2,1-f][1,2,4]triazine;yttrium (CID 59298955) is 2-ethyl-4-methanidylpyrrolo[2,1-f][1,2,4]triazine;yttrium.
What is the SMILES notation for 2-ethyl-4-methanidylpyrrolo[2,1-f][1,2,4]triazine;yttrium?
The canonical SMILES for 2-ethyl-4-methanidylpyrrolo[2,1-f][1,2,4]triazine;yttrium is [CH2-]c1nc(CC)nn2cccc12.[Y].
What is the InChIKey of 2-ethyl-4-methanidylpyrrolo[2,1-f][1,2,4]triazine;yttrium?
The InChIKey is MTHOBCJRSUFXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N3.Y/c1-3-9-10-7(2)8-5-4-6-12(8)11-9;/h4-6H,2-3H2,1H3;/q-1;.
What are the key properties of 2-ethyl-4-methanidylpyrrolo[2,1-f][1,2,4]triazine;yttrium?
2-ethyl-4-methanidylpyrrolo[2,1-f][1,2,4]triazine;yttrium has a molecular weight of 249.11 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methanidylpyrrolo[2,1-f][1,2,4]triazine;yttrium is sourced from PubChem (CID 59298955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).