4-cyclopentyl-3-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one

C14H24N4O2 — CID 50950211

IUPAC4-cyclopentyl-3-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CCCN2CCOCC2)n1C1CCCC1
InChIInChI=1S/C14H24N4O2/c19-14-16-15-13(18(14)12-4-1-2-5-12)6-3-7-17-8-10-20-11-9-17/h12H,1-11H2,(H,16,19)
InChIKeyBWFCBNNGVSJMLM-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.95
Rot. Bonds5

About 4-cyclopentyl-3-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one

4-cyclopentyl-3-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one (PubChem CID 50950211) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-cyclopentyl-3-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-cyclopentyl-3-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one
PubChem CID50950211
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-cyclopentyl-3-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CCCN2CCOCC2)n1C1CCCC1
InChIInChI=1S/C14H24N4O2/c19-14-16-15-13(18(14)12-4-1-2-5-12)6-3-7-17-8-10-20-11-9-17/h12H,1-11H2,(H,16,19)
InChIKeyBWFCBNNGVSJMLM-UHFFFAOYSA-N
XLogP0.95
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-3-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-cyclopentyl-3-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one (CID 50950211) is 4-cyclopentyl-3-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-cyclopentyl-3-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-cyclopentyl-3-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one is O=c1[nH]nc(CCCN2CCOCC2)n1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-3-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one?
The InChIKey is BWFCBNNGVSJMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c19-14-16-15-13(18(14)12-4-1-2-5-12)6-3-7-17-8-10-20-11-9-17/h12H,1-11H2,(H,16,19).
What are the key properties of 4-cyclopentyl-3-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one?
4-cyclopentyl-3-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one has a molecular weight of 280.37 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-3-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 50950211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).