3-[[4-(oxolan-3-yloxy)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one

C12H20N4O3 — CID 137214673

IUPAC3-[[4-(oxolan-3-yloxy)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CN2CCC(OC3CCOC3)CC2)[nH]1
InChIInChI=1S/C12H20N4O3/c17-12-13-11(14-15-12)7-16-4-1-9(2-5-16)19-10-3-6-18-8-10/h9-10H,1-8H2,(H2,13,14,15,17)
InChIKeyVDYPARHFHHLGDZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.13
Rot. Bonds4

About 3-[[4-(oxolan-3-yloxy)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one

3-[[4-(oxolan-3-yloxy)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137214673) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[[4-(oxolan-3-yloxy)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[[4-(oxolan-3-yloxy)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137214673
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name3-[[4-(oxolan-3-yloxy)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CN2CCC(OC3CCOC3)CC2)[nH]1
InChIInChI=1S/C12H20N4O3/c17-12-13-11(14-15-12)7-16-4-1-9(2-5-16)19-10-3-6-18-8-10/h9-10H,1-8H2,(H2,13,14,15,17)
InChIKeyVDYPARHFHHLGDZ-UHFFFAOYSA-N
XLogP-0.13
TPSA83.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Piperidin-4-yloxyethyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136210389
3-[[4-(3-Hydroxypropoxy)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136768261

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(oxolan-3-yloxy)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[[4-(oxolan-3-yloxy)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one (CID 137214673) is 3-[[4-(oxolan-3-yloxy)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[[4-(oxolan-3-yloxy)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[[4-(oxolan-3-yloxy)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one is O=c1[nH]nc(CN2CCC(OC3CCOC3)CC2)[nH]1.
What is the InChIKey of 3-[[4-(oxolan-3-yloxy)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is VDYPARHFHHLGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c17-12-13-11(14-15-12)7-16-4-1-9(2-5-16)19-10-3-6-18-8-10/h9-10H,1-8H2,(H2,13,14,15,17).
What are the key properties of 3-[[4-(oxolan-3-yloxy)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[[4-(oxolan-3-yloxy)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 268.32 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(oxolan-3-yloxy)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137214673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).