4-(2-methoxyethyl)-3-piperidin-3-yl-1H-1,2,4-triazol-5-one

C10H18N4O2 — CID 83284141

IUPAC4-(2-methoxyethyl)-3-piperidin-3-yl-1H-1,2,4-triazol-5-one
SMILESCOCCn1c(C2CCCNC2)n[nH]c1=O
InChIInChI=1S/C10H18N4O2/c1-16-6-5-14-9(12-13-10(14)15)8-3-2-4-11-7-8/h8,11H,2-7H2,1H3,(H,13,15)
InChIKeyDYFMIKVXIAIZPR-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.32
Rot. Bonds4

About 4-(2-methoxyethyl)-3-piperidin-3-yl-1H-1,2,4-triazol-5-one

4-(2-methoxyethyl)-3-piperidin-3-yl-1H-1,2,4-triazol-5-one (PubChem CID 83284141) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-3-piperidin-3-yl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-(2-methoxyethyl)-3-piperidin-3-yl-1H-1,2,4-triazol-5-one
PubChem CID83284141
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name4-(2-methoxyethyl)-3-piperidin-3-yl-1H-1,2,4-triazol-5-one
SMILESCOCCn1c(C2CCCNC2)n[nH]c1=O
InChIInChI=1S/C10H18N4O2/c1-16-6-5-14-9(12-13-10(14)15)8-3-2-4-11-7-8/h8,11H,2-7H2,1H3,(H,13,15)
InChIKeyDYFMIKVXIAIZPR-UHFFFAOYSA-N
XLogP-0.32
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-3-piperidin-3-yl-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-(2-methoxyethyl)-3-piperidin-3-yl-1H-1,2,4-triazol-5-one (CID 83284141) is 4-(2-methoxyethyl)-3-piperidin-3-yl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-(2-methoxyethyl)-3-piperidin-3-yl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-(2-methoxyethyl)-3-piperidin-3-yl-1H-1,2,4-triazol-5-one is COCCn1c(C2CCCNC2)n[nH]c1=O.
What is the InChIKey of 4-(2-methoxyethyl)-3-piperidin-3-yl-1H-1,2,4-triazol-5-one?
The InChIKey is DYFMIKVXIAIZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-16-6-5-14-9(12-13-10(14)15)8-3-2-4-11-7-8/h8,11H,2-7H2,1H3,(H,13,15).
What are the key properties of 4-(2-methoxyethyl)-3-piperidin-3-yl-1H-1,2,4-triazol-5-one?
4-(2-methoxyethyl)-3-piperidin-3-yl-1H-1,2,4-triazol-5-one has a molecular weight of 226.28 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-3-piperidin-3-yl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 83284141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).