3-(piperidine-1-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one

C8H12N4O2 — CID 136831986

IUPAC3-(piperidine-1-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=C(c1n[nH]c(=O)[nH]1)N1CCCCC1
InChIInChI=1S/C8H12N4O2/c13-7(6-9-8(14)11-10-6)12-4-2-1-3-5-12/h1-5H2,(H2,9,10,11,14)
InChIKeyHFCBMCWRLGYQMP-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.28
Rot. Bonds1

About 3-(piperidine-1-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one

3-(piperidine-1-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136831986) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-(piperidine-1-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(piperidine-1-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136831986
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name3-(piperidine-1-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=C(c1n[nH]c(=O)[nH]1)N1CCCCC1
InChIInChI=1S/C8H12N4O2/c13-7(6-9-8(14)11-10-6)12-4-2-1-3-5-12/h1-5H2,(H2,9,10,11,14)
InChIKeyHFCBMCWRLGYQMP-UHFFFAOYSA-N
XLogP-0.28
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidine-1-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(piperidine-1-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one (CID 136831986) is 3-(piperidine-1-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(piperidine-1-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(piperidine-1-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one is O=C(c1n[nH]c(=O)[nH]1)N1CCCCC1.
What is the InChIKey of 3-(piperidine-1-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is HFCBMCWRLGYQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c13-7(6-9-8(14)11-10-6)12-4-2-1-3-5-12/h1-5H2,(H2,9,10,11,14).
What are the key properties of 3-(piperidine-1-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(piperidine-1-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 196.21 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidine-1-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 136831986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).