(3-fluorocyclopentyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate;yttrium

C11H11FN5O3Y- — CID 169074267

IUPAC(3-fluorocyclopentyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate;yttrium
SMILESCn1nnc2c(C(=O)OC3C[CH-]C(F)C3)ncn2c1=O.[Y]
InChIInChI=1S/C11H11FN5O3.Y/c1-16-11(19)17-5-13-8(9(17)14-15-16)10(18)20-7-3-2-6(12)4-7;/h2,5-7H,3-4H2,1H3;/q-1;
InChIKeyYTYWUEYSZZNHOS-UHFFFAOYSA-N
MW369.15 g/mol
LogP-0.32
Rot. Bonds2

About (3-fluorocyclopentyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate;yttrium

(3-fluorocyclopentyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate;yttrium (PubChem CID 169074267) has the molecular formula C11H11FN5O3Y- and a molecular weight of 369.15 g/mol. Its IUPAC name is (3-fluorocyclopentyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate;yttrium.

Molecular Properties

Compound Name(3-fluorocyclopentyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate;yttrium
PubChem CID169074267
Molecular FormulaC11H11FN5O3Y-
Molecular Weight369.15 g/mol
Exact Mass368.99
IUPAC Name(3-fluorocyclopentyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate;yttrium
SMILESCn1nnc2c(C(=O)OC3C[CH-]C(F)C3)ncn2c1=O.[Y]
InChIInChI=1S/C11H11FN5O3.Y/c1-16-11(19)17-5-13-8(9(17)14-15-16)10(18)20-7-3-2-6(12)4-7;/h2,5-7H,3-4H2,1H3;/q-1;
InChIKeyYTYWUEYSZZNHOS-UHFFFAOYSA-N
XLogP-0.32
TPSA91.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.15
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 (3-fluorocyclopentyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate;yttrium?
The IUPAC name of (3-fluorocyclopentyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate;yttrium (CID 169074267) is (3-fluorocyclopentyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate;yttrium.
What is the SMILES notation for (3-fluorocyclopentyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate;yttrium?
The canonical SMILES for (3-fluorocyclopentyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate;yttrium is Cn1nnc2c(C(=O)OC3C[CH-]C(F)C3)ncn2c1=O.[Y].
What is the InChIKey of (3-fluorocyclopentyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate;yttrium?
The InChIKey is YTYWUEYSZZNHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN5O3.Y/c1-16-11(19)17-5-13-8(9(17)14-15-16)10(18)20-7-3-2-6(12)4-7;/h2,5-7H,3-4H2,1H3;/q-1;.
What are the key properties of (3-fluorocyclopentyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate;yttrium?
(3-fluorocyclopentyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate;yttrium has a molecular weight of 369.15 g/mol, XLogP of -0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorocyclopentyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate;yttrium is sourced from PubChem (CID 169074267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).