6-morpholin-4-yl-1H-1,3,5-triazin-2-one

C7H10N4O2 — CID 729336

IUPAC6-morpholin-4-yl-1H-1,3,5-triazin-2-one
SMILESO=c1ncnc(N2CCOCC2)[nH]1
InChIInChI=1S/C7H10N4O2/c12-7-9-5-8-6(10-7)11-1-3-13-4-2-11/h5H,1-4H2,(H,8,9,10,12)
InChIKeyZMHCDXJDNHAFPS-UHFFFAOYSA-N
MW182.18 g/mol
LogP-1.00
Rot. Bonds1

About 6-morpholin-4-yl-1H-1,3,5-triazin-2-one

6-morpholin-4-yl-1H-1,3,5-triazin-2-one (PubChem CID 729336) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 6-morpholin-4-yl-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-morpholin-4-yl-1H-1,3,5-triazin-2-one
PubChem CID729336
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name6-morpholin-4-yl-1H-1,3,5-triazin-2-one
SMILESO=c1ncnc(N2CCOCC2)[nH]1
InChIInChI=1S/C7H10N4O2/c12-7-9-5-8-6(10-7)11-1-3-13-4-2-11/h5H,1-4H2,(H,8,9,10,12)
InChIKeyZMHCDXJDNHAFPS-UHFFFAOYSA-N
XLogP-1.00
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-morpholin-4-yl-1H-1,3,5-triazin-2-one (CID 729336) is 6-morpholin-4-yl-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-morpholin-4-yl-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-morpholin-4-yl-1H-1,3,5-triazin-2-one is O=c1ncnc(N2CCOCC2)[nH]1.
What is the InChIKey of 6-morpholin-4-yl-1H-1,3,5-triazin-2-one?
The InChIKey is ZMHCDXJDNHAFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c12-7-9-5-8-6(10-7)11-1-3-13-4-2-11/h5H,1-4H2,(H,8,9,10,12).
What are the key properties of 6-morpholin-4-yl-1H-1,3,5-triazin-2-one?
6-morpholin-4-yl-1H-1,3,5-triazin-2-one has a molecular weight of 182.18 g/mol, XLogP of -1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 729336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).