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

C10H18N4O — CID 81487694

IUPAC3-piperidin-3-yl-4-propan-2-yl-1H-1,2,4-triazol-5-one
SMILESCC(C)n1c(C2CCCNC2)n[nH]c1=O
InChIInChI=1S/C10H18N4O/c1-7(2)14-9(12-13-10(14)15)8-4-3-5-11-6-8/h7-8,11H,3-6H2,1-2H3,(H,13,15)
InChIKeyFGPBRMNSAHKJFQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.62
Rot. Bonds2

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

3-piperidin-3-yl-4-propan-2-yl-1H-1,2,4-triazol-5-one (PubChem CID 81487694) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-piperidin-3-yl-4-propan-2-yl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-piperidin-3-yl-4-propan-2-yl-1H-1,2,4-triazol-5-one
PubChem CID81487694
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-piperidin-3-yl-4-propan-2-yl-1H-1,2,4-triazol-5-one
SMILESCC(C)n1c(C2CCCNC2)n[nH]c1=O
InChIInChI=1S/C10H18N4O/c1-7(2)14-9(12-13-10(14)15)8-4-3-5-11-6-8/h7-8,11H,3-6H2,1-2H3,(H,13,15)
InChIKeyFGPBRMNSAHKJFQ-UHFFFAOYSA-N
XLogP0.62
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-4-propan-2-yl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-piperidin-3-yl-4-propan-2-yl-1H-1,2,4-triazol-5-one (CID 81487694) is 3-piperidin-3-yl-4-propan-2-yl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-piperidin-3-yl-4-propan-2-yl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-piperidin-3-yl-4-propan-2-yl-1H-1,2,4-triazol-5-one is CC(C)n1c(C2CCCNC2)n[nH]c1=O.
What is the InChIKey of 3-piperidin-3-yl-4-propan-2-yl-1H-1,2,4-triazol-5-one?
The InChIKey is FGPBRMNSAHKJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(2)14-9(12-13-10(14)15)8-4-3-5-11-6-8/h7-8,11H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 3-piperidin-3-yl-4-propan-2-yl-1H-1,2,4-triazol-5-one?
3-piperidin-3-yl-4-propan-2-yl-1H-1,2,4-triazol-5-one has a molecular weight of 210.28 g/mol, XLogP of 0.62, 2 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-propan-2-yl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 81487694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).