5-cyclopentyl-1,2,4-triazine-3-carbaldehyde

C9H11N3O — CID 105436864

IUPAC5-cyclopentyl-1,2,4-triazine-3-carbaldehyde
SMILESO=Cc1nncc(C2CCCC2)n1
InChIInChI=1S/C9H11N3O/c13-6-9-11-8(5-10-12-9)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyHGACCYOFTBMSLH-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.34
Rot. Bonds2

About 5-cyclopentyl-1,2,4-triazine-3-carbaldehyde

5-cyclopentyl-1,2,4-triazine-3-carbaldehyde (PubChem CID 105436864) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 5-cyclopentyl-1,2,4-triazine-3-carbaldehyde.

Molecular Properties

Compound Name5-cyclopentyl-1,2,4-triazine-3-carbaldehyde
PubChem CID105436864
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name5-cyclopentyl-1,2,4-triazine-3-carbaldehyde
SMILESO=Cc1nncc(C2CCCC2)n1
InChIInChI=1S/C9H11N3O/c13-6-9-11-8(5-10-12-9)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyHGACCYOFTBMSLH-UHFFFAOYSA-N
XLogP1.34
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1,2,4-triazine-3-carbaldehyde?
The IUPAC name of 5-cyclopentyl-1,2,4-triazine-3-carbaldehyde (CID 105436864) is 5-cyclopentyl-1,2,4-triazine-3-carbaldehyde.
What is the SMILES notation for 5-cyclopentyl-1,2,4-triazine-3-carbaldehyde?
The canonical SMILES for 5-cyclopentyl-1,2,4-triazine-3-carbaldehyde is O=Cc1nncc(C2CCCC2)n1.
What is the InChIKey of 5-cyclopentyl-1,2,4-triazine-3-carbaldehyde?
The InChIKey is HGACCYOFTBMSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c13-6-9-11-8(5-10-12-9)7-3-1-2-4-7/h5-7H,1-4H2.
What are the key properties of 5-cyclopentyl-1,2,4-triazine-3-carbaldehyde?
5-cyclopentyl-1,2,4-triazine-3-carbaldehyde has a molecular weight of 177.21 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1,2,4-triazine-3-carbaldehyde is sourced from PubChem (CID 105436864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).