3-piperidin-1-yl-1,4-dihydro-1,2,4-triazol-5-one

C7H12N4O — CID 135522567

IUPAC3-piperidin-1-yl-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(N2CCCCC2)[nH]1
InChIInChI=1S/C7H12N4O/c12-7-8-6(9-10-7)11-4-2-1-3-5-11/h1-5H2,(H2,8,9,10,12)
InChIKeyOMFWSKDFLZDMNB-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.09
Rot. Bonds1

About 3-piperidin-1-yl-1,4-dihydro-1,2,4-triazol-5-one

3-piperidin-1-yl-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 135522567) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-piperidin-1-yl-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-piperidin-1-yl-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID135522567
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name3-piperidin-1-yl-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(N2CCCCC2)[nH]1
InChIInChI=1S/C7H12N4O/c12-7-8-6(9-10-7)11-4-2-1-3-5-11/h1-5H2,(H2,8,9,10,12)
InChIKeyOMFWSKDFLZDMNB-UHFFFAOYSA-N
XLogP0.09
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-ol dihydrochloride
CID 136573907
6-Piperidino-1,2,4,5-tetrazin-3-ol
CID 129744678
3-(4-Aminopiperidin-1-yl)-1H-1,2,4-triazol-5-ol
CID 136573908
5-(3-aminopiperidin-1-yl)-4H-1,2,4-triazol-3-ol
CID 136758285
3-[3-(Aminomethyl)piperidin-1-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136836568
3-[4-(Methylamino)piperidin-1-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136836591
3-[4-(Aminomethyl)piperidin-1-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136836606
5-(3-aminopiperidin-1-yl)-4H-1,2,4-triazol-3-ol dihydrochloride
CID 167720541

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-piperidin-1-yl-1,4-dihydro-1,2,4-triazol-5-one (CID 135522567) is 3-piperidin-1-yl-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-piperidin-1-yl-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-piperidin-1-yl-1,4-dihydro-1,2,4-triazol-5-one is O=c1[nH]nc(N2CCCCC2)[nH]1.
What is the InChIKey of 3-piperidin-1-yl-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is OMFWSKDFLZDMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c12-7-8-6(9-10-7)11-4-2-1-3-5-11/h1-5H2,(H2,8,9,10,12).
What are the key properties of 3-piperidin-1-yl-1,4-dihydro-1,2,4-triazol-5-one?
3-piperidin-1-yl-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 168.20 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 135522567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).