4-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazol-5-one

C10H18N4O2 — CID 107410869

IUPAC4-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1CCCOC1CCNCC1
InChIInChI=1S/C10H18N4O2/c15-10-13-12-8-14(10)6-1-7-16-9-2-4-11-5-3-9/h8-9,11H,1-7H2,(H,13,15)
InChIKeySYRGMVBPLFNKPW-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.27
Rot. Bonds5

About 4-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazol-5-one

4-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazol-5-one (PubChem CID 107410869) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazol-5-one
PubChem CID107410869
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name4-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1CCCOC1CCNCC1
InChIInChI=1S/C10H18N4O2/c15-10-13-12-8-14(10)6-1-7-16-9-2-4-11-5-3-9/h8-9,11H,1-7H2,(H,13,15)
InChIKeySYRGMVBPLFNKPW-UHFFFAOYSA-N
XLogP-0.27
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazol-5-one (CID 107410869) is 4-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazol-5-one is O=c1[nH]ncn1CCCOC1CCNCC1.
What is the InChIKey of 4-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazol-5-one?
The InChIKey is SYRGMVBPLFNKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c15-10-13-12-8-14(10)6-1-7-16-9-2-4-11-5-3-9/h8-9,11H,1-7H2,(H,13,15).
What are the key properties of 4-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazol-5-one?
4-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazol-5-one has a molecular weight of 226.28 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 107410869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).