3-piperidin-3-yl-4-propyl-1H-1,2,4-triazol-5-one

C10H18N4O — CID 81488808

IUPAC3-piperidin-3-yl-4-propyl-1H-1,2,4-triazol-5-one
SMILESCCCn1c(C2CCCNC2)n[nH]c1=O
InChIInChI=1S/C10H18N4O/c1-2-6-14-9(12-13-10(14)15)8-4-3-5-11-7-8/h8,11H,2-7H2,1H3,(H,13,15)
InChIKeyQHFXKXUKVZIZCC-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.45
Rot. Bonds3

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

3-piperidin-3-yl-4-propyl-1H-1,2,4-triazol-5-one (PubChem CID 81488808) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-piperidin-3-yl-4-propyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-piperidin-3-yl-4-propyl-1H-1,2,4-triazol-5-one
PubChem CID81488808
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-piperidin-3-yl-4-propyl-1H-1,2,4-triazol-5-one
SMILESCCCn1c(C2CCCNC2)n[nH]c1=O
InChIInChI=1S/C10H18N4O/c1-2-6-14-9(12-13-10(14)15)8-4-3-5-11-7-8/h8,11H,2-7H2,1H3,(H,13,15)
InChIKeyQHFXKXUKVZIZCC-UHFFFAOYSA-N
XLogP0.45
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

3-cyclopentyl-4-propyl-1H-1,2,4-triazole-5-thione
CID 115389911
4-(2-fluorophenyl)-3-piperidin-3-yl-1H-1,2,4-triazol-5-one
CID 81488809
4-ethyl-5-[(3R)-piperidin-3-yl]-2-(2-propoxyethyl)-1,2,4-triazol-3-one
CID 95218629
3-cyclobutyl-4-methyl-1H-1,2,4-triazol-5-one
CID 126953775
3-(4-butyl-1,2,4-triazol-3-yl)piperidine
CID 82470594
(3S)-3-(1,4-dimethylimidazol-2-yl)piperidine
CID 96743464
3-(3,5-dimethyl-1-propylpyrazol-4-yl)piperidine
CID 105478412
4-ethyl-2-(4-hydroxybutyl)-5-piperidin-3-yl-1,2,4-triazol-3-one;dihydrochloride
CID 171687125
3-cyclohexyl-4-methyl-1H-1,2,4-triazol-5-one
CID 126953783
3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine
CID 3231623
3-cyclohexyl-4-prop-2-enyl-1H-1,2,4-triazol-5-one
CID 50980035
(3S)-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine
CID 94552936

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-4-propyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-piperidin-3-yl-4-propyl-1H-1,2,4-triazol-5-one (CID 81488808) is 3-piperidin-3-yl-4-propyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-piperidin-3-yl-4-propyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-piperidin-3-yl-4-propyl-1H-1,2,4-triazol-5-one is CCCn1c(C2CCCNC2)n[nH]c1=O.
What is the InChIKey of 3-piperidin-3-yl-4-propyl-1H-1,2,4-triazol-5-one?
The InChIKey is QHFXKXUKVZIZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-2-6-14-9(12-13-10(14)15)8-4-3-5-11-7-8/h8,11H,2-7H2,1H3,(H,13,15).
What are the key properties of 3-piperidin-3-yl-4-propyl-1H-1,2,4-triazol-5-one?
3-piperidin-3-yl-4-propyl-1H-1,2,4-triazol-5-one has a molecular weight of 210.28 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-4-propyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 81488808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).