1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbaldehyde

C13H16N4O — CID 62662923

IUPAC1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbaldehyde
SMILESCc1cc(N2CCC(C=O)CC2)n2ncnc2c1
InChIInChI=1S/C13H16N4O/c1-10-6-12-14-9-15-17(12)13(7-10)16-4-2-11(8-18)3-5-16/h6-9,11H,2-5H2,1H3
InChIKeyMGBDXBXJRKWLNU-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.45
Rot. Bonds2

About 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbaldehyde

1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbaldehyde (PubChem CID 62662923) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbaldehyde
PubChem CID62662923
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbaldehyde
SMILESCc1cc(N2CCC(C=O)CC2)n2ncnc2c1
InChIInChI=1S/C13H16N4O/c1-10-6-12-14-9-15-17(12)13(7-10)16-4-2-11(8-18)3-5-16/h6-9,11H,2-5H2,1H3
InChIKeyMGBDXBXJRKWLNU-UHFFFAOYSA-N
XLogP1.45
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbaldehyde (CID 62662923) is 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbaldehyde is Cc1cc(N2CCC(C=O)CC2)n2ncnc2c1.
What is the InChIKey of 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbaldehyde?
The InChIKey is MGBDXBXJRKWLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-6-12-14-9-15-17(12)13(7-10)16-4-2-11(8-18)3-5-16/h6-9,11H,2-5H2,1H3.
What are the key properties of 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbaldehyde?
1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbaldehyde has a molecular weight of 244.30 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbaldehyde is sourced from PubChem (CID 62662923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).