6-(3-piperidin-1-ylpropoxy)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one

C14H20N4O2 — CID 141084460

IUPAC6-(3-piperidin-1-ylpropoxy)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one
SMILESO=c1ncc2cc(OCCCN3CCCCC3)cn2[nH]1
InChIInChI=1S/C14H20N4O2/c19-14-15-10-12-9-13(11-18(12)16-14)20-8-4-7-17-5-2-1-3-6-17/h9-11H,1-8H2,(H,16,19)
InChIKeyCJLLXCMKNBNOQY-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.28
Rot. Bonds5

About 6-(3-piperidin-1-ylpropoxy)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one

6-(3-piperidin-1-ylpropoxy)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one (PubChem CID 141084460) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-(3-piperidin-1-ylpropoxy)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one.

Molecular Properties

Compound Name6-(3-piperidin-1-ylpropoxy)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one
PubChem CID141084460
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name6-(3-piperidin-1-ylpropoxy)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one
SMILESO=c1ncc2cc(OCCCN3CCCCC3)cn2[nH]1
InChIInChI=1S/C14H20N4O2/c19-14-15-10-12-9-13(11-18(12)16-14)20-8-4-7-17-5-2-1-3-6-17/h9-11H,1-8H2,(H,16,19)
InChIKeyCJLLXCMKNBNOQY-UHFFFAOYSA-N
XLogP1.28
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one
CID 59651971
2-methyl-5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridazin-3-one
CID 143618011
2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 129451930
1-[3-(4-propylphenoxy)propyl]azepane
CID 91586553
[methyl-[5-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]amino]mercury
CID 144665978
2-ethyl-N-methyl-4-(3-piperidin-1-ylpropoxy)aniline
CID 142876314
2-methyl-4-(3-piperidin-1-ylpropoxy)aniline
CID 39351364
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
3-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride
CID 177365517
2-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline
CID 69089727
1-[3-(3-methoxyphenoxy)propyl]azepane;oxalic acid
CID 2944095
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198

Frequently Asked Questions

What is the IUPAC name of 6-(3-piperidin-1-ylpropoxy)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one?
The IUPAC name of 6-(3-piperidin-1-ylpropoxy)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one (CID 141084460) is 6-(3-piperidin-1-ylpropoxy)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one.
What is the SMILES notation for 6-(3-piperidin-1-ylpropoxy)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one?
The canonical SMILES for 6-(3-piperidin-1-ylpropoxy)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one is O=c1ncc2cc(OCCCN3CCCCC3)cn2[nH]1.
What is the InChIKey of 6-(3-piperidin-1-ylpropoxy)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one?
The InChIKey is CJLLXCMKNBNOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c19-14-15-10-12-9-13(11-18(12)16-14)20-8-4-7-17-5-2-1-3-6-17/h9-11H,1-8H2,(H,16,19).
What are the key properties of 6-(3-piperidin-1-ylpropoxy)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one?
6-(3-piperidin-1-ylpropoxy)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-piperidin-1-ylpropoxy)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one is sourced from PubChem (CID 141084460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).