3-[1-[2-(2-methylmorpholin-4-yl)ethyl]piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one

C14H25N5O2 — CID 167765154

IUPAC3-[1-[2-(2-methylmorpholin-4-yl)ethyl]piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCC1CN(CCN2CCC(c3n[nH]c(=O)[nH]3)CC2)CCO1
InChIInChI=1S/C14H25N5O2/c1-11-10-19(8-9-21-11)7-6-18-4-2-12(3-5-18)13-15-14(20)17-16-13/h11-12H,2-10H2,1H3,(H2,15,16,17,20)
InChIKeyZZRAGBBKJKRKSO-UHFFFAOYSA-N
MW295.39 g/mol
LogP-0.00
Rot. Bonds4

About 3-[1-[2-(2-methylmorpholin-4-yl)ethyl]piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one

3-[1-[2-(2-methylmorpholin-4-yl)ethyl]piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 167765154) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-[1-[2-(2-methylmorpholin-4-yl)ethyl]piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[1-[2-(2-methylmorpholin-4-yl)ethyl]piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID167765154
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name3-[1-[2-(2-methylmorpholin-4-yl)ethyl]piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCC1CN(CCN2CCC(c3n[nH]c(=O)[nH]3)CC2)CCO1
InChIInChI=1S/C14H25N5O2/c1-11-10-19(8-9-21-11)7-6-18-4-2-12(3-5-18)13-15-14(20)17-16-13/h11-12H,2-10H2,1H3,(H2,15,16,17,20)
InChIKeyZZRAGBBKJKRKSO-UHFFFAOYSA-N
XLogP-0.00
TPSA77.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-methylmorpholin-4-yl)ethyl]piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[1-[2-(2-methylmorpholin-4-yl)ethyl]piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one (CID 167765154) is 3-[1-[2-(2-methylmorpholin-4-yl)ethyl]piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[1-[2-(2-methylmorpholin-4-yl)ethyl]piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[1-[2-(2-methylmorpholin-4-yl)ethyl]piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one is CC1CN(CCN2CCC(c3n[nH]c(=O)[nH]3)CC2)CCO1.
What is the InChIKey of 3-[1-[2-(2-methylmorpholin-4-yl)ethyl]piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is ZZRAGBBKJKRKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-11-10-19(8-9-21-11)7-6-18-4-2-12(3-5-18)13-15-14(20)17-16-13/h11-12H,2-10H2,1H3,(H2,15,16,17,20).
What are the key properties of 3-[1-[2-(2-methylmorpholin-4-yl)ethyl]piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[1-[2-(2-methylmorpholin-4-yl)ethyl]piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 295.39 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-methylmorpholin-4-yl)ethyl]piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 167765154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).