3-cyclopentyl-8-oxo-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazine-6-carbaldehyde

C10H11N5O2 — CID 136953487

IUPAC3-cyclopentyl-8-oxo-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazine-6-carbaldehyde
SMILESO=Cc1nn2c(C3CCCC3)nnc2c(=O)[nH]1
InChIInChI=1S/C10H11N5O2/c16-5-7-11-10(17)9-13-12-8(15(9)14-7)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,14,17)
InChIKeyOPEJRUHCSNEDAO-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.28
Rot. Bonds2

About 3-cyclopentyl-8-oxo-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazine-6-carbaldehyde

3-cyclopentyl-8-oxo-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazine-6-carbaldehyde (PubChem CID 136953487) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-cyclopentyl-8-oxo-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazine-6-carbaldehyde.

Molecular Properties

Compound Name3-cyclopentyl-8-oxo-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazine-6-carbaldehyde
PubChem CID136953487
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name3-cyclopentyl-8-oxo-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazine-6-carbaldehyde
SMILESO=Cc1nn2c(C3CCCC3)nnc2c(=O)[nH]1
InChIInChI=1S/C10H11N5O2/c16-5-7-11-10(17)9-13-12-8(15(9)14-7)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,14,17)
InChIKeyOPEJRUHCSNEDAO-UHFFFAOYSA-N
XLogP0.28
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-8-oxo-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazine-6-carbaldehyde?
The IUPAC name of 3-cyclopentyl-8-oxo-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazine-6-carbaldehyde (CID 136953487) is 3-cyclopentyl-8-oxo-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazine-6-carbaldehyde.
What is the SMILES notation for 3-cyclopentyl-8-oxo-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazine-6-carbaldehyde?
The canonical SMILES for 3-cyclopentyl-8-oxo-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazine-6-carbaldehyde is O=Cc1nn2c(C3CCCC3)nnc2c(=O)[nH]1.
What is the InChIKey of 3-cyclopentyl-8-oxo-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazine-6-carbaldehyde?
The InChIKey is OPEJRUHCSNEDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c16-5-7-11-10(17)9-13-12-8(15(9)14-7)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,14,17).
What are the key properties of 3-cyclopentyl-8-oxo-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazine-6-carbaldehyde?
3-cyclopentyl-8-oxo-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazine-6-carbaldehyde has a molecular weight of 233.23 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-8-oxo-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazine-6-carbaldehyde is sourced from PubChem (CID 136953487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).