4-[(3-ethylpiperidin-2-yl)methyl]-1H-1,2,4-triazol-5-one

C10H18N4O — CID 107410558

IUPAC4-[(3-ethylpiperidin-2-yl)methyl]-1H-1,2,4-triazol-5-one
SMILESCCC1CCCNC1Cn1cn[nH]c1=O
InChIInChI=1S/C10H18N4O/c1-2-8-4-3-5-11-9(8)6-14-7-12-13-10(14)15/h7-9,11H,2-6H2,1H3,(H,13,15)
InChIKeyXCXFPTBBDKSLRV-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.35
Rot. Bonds3

About 4-[(3-ethylpiperidin-2-yl)methyl]-1H-1,2,4-triazol-5-one

4-[(3-ethylpiperidin-2-yl)methyl]-1H-1,2,4-triazol-5-one (PubChem CID 107410558) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-[(3-ethylpiperidin-2-yl)methyl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-[(3-ethylpiperidin-2-yl)methyl]-1H-1,2,4-triazol-5-one
PubChem CID107410558
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-[(3-ethylpiperidin-2-yl)methyl]-1H-1,2,4-triazol-5-one
SMILESCCC1CCCNC1Cn1cn[nH]c1=O
InChIInChI=1S/C10H18N4O/c1-2-8-4-3-5-11-9(8)6-14-7-12-13-10(14)15/h7-9,11H,2-6H2,1H3,(H,13,15)
InChIKeyXCXFPTBBDKSLRV-UHFFFAOYSA-N
XLogP0.35
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 ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylpiperidin-2-yl)methyl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-[(3-ethylpiperidin-2-yl)methyl]-1H-1,2,4-triazol-5-one (CID 107410558) is 4-[(3-ethylpiperidin-2-yl)methyl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-[(3-ethylpiperidin-2-yl)methyl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-[(3-ethylpiperidin-2-yl)methyl]-1H-1,2,4-triazol-5-one is CCC1CCCNC1Cn1cn[nH]c1=O.
What is the InChIKey of 4-[(3-ethylpiperidin-2-yl)methyl]-1H-1,2,4-triazol-5-one?
The InChIKey is XCXFPTBBDKSLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-2-8-4-3-5-11-9(8)6-14-7-12-13-10(14)15/h7-9,11H,2-6H2,1H3,(H,13,15).
What are the key properties of 4-[(3-ethylpiperidin-2-yl)methyl]-1H-1,2,4-triazol-5-one?
4-[(3-ethylpiperidin-2-yl)methyl]-1H-1,2,4-triazol-5-one has a molecular weight of 210.28 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylpiperidin-2-yl)methyl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 107410558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).