3-morpholin-4-yl-1,4-dihydro-1,2,4-triazol-5-one

C6H10N4O2 — CID 135401851

IUPAC3-morpholin-4-yl-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(N2CCOCC2)[nH]1
InChIInChI=1S/C6H10N4O2/c11-6-7-5(8-9-6)10-1-3-12-4-2-10/h1-4H2,(H2,7,8,9,11)
InChIKeyHDCQMEVVMYVALW-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.07
Rot. Bonds1

About 3-morpholin-4-yl-1,4-dihydro-1,2,4-triazol-5-one

3-morpholin-4-yl-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 135401851) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 3-morpholin-4-yl-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-morpholin-4-yl-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID135401851
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name3-morpholin-4-yl-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(N2CCOCC2)[nH]1
InChIInChI=1S/C6H10N4O2/c11-6-7-5(8-9-6)10-1-3-12-4-2-10/h1-4H2,(H2,7,8,9,11)
InChIKeyHDCQMEVVMYVALW-UHFFFAOYSA-N
XLogP-1.07
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-morpholin-4-yl-1,4-dihydro-1,2,4-triazol-5-one (CID 135401851) is 3-morpholin-4-yl-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-morpholin-4-yl-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-morpholin-4-yl-1,4-dihydro-1,2,4-triazol-5-one is O=c1[nH]nc(N2CCOCC2)[nH]1.
What is the InChIKey of 3-morpholin-4-yl-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is HDCQMEVVMYVALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c11-6-7-5(8-9-6)10-1-3-12-4-2-10/h1-4H2,(H2,7,8,9,11).
What are the key properties of 3-morpholin-4-yl-1,4-dihydro-1,2,4-triazol-5-one?
3-morpholin-4-yl-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 170.17 g/mol, XLogP of -1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 135401851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).