1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione

C13H23N5O4 — CID 5325331

IUPAC1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione
SMILESO=C1NC(=O)N(CN2CCOCC2)CN1CN1CCOCC1
InChIInChI=1S/C13H23N5O4/c19-12-14-13(20)18(10-16-3-7-22-8-4-16)11-17(12)9-15-1-5-21-6-2-15/h1-11H2,(H,14,19,20)
InChIKeyMTYCRUYDLAPWPM-UHFFFAOYSA-N
MW313.36 g/mol
LogP-1.03
Rot. Bonds4

About 1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione

1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione (PubChem CID 5325331) has the molecular formula C13H23N5O4 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione
PubChem CID5325331
Molecular FormulaC13H23N5O4
Molecular Weight313.36 g/mol
Exact Mass313.18
IUPAC Name1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione
SMILESO=C1NC(=O)N(CN2CCOCC2)CN1CN1CCOCC1
InChIInChI=1S/C13H23N5O4/c19-12-14-13(20)18(10-16-3-7-22-8-4-16)11-17(12)9-15-1-5-21-6-2-15/h1-11H2,(H,14,19,20)
InChIKeyMTYCRUYDLAPWPM-UHFFFAOYSA-N
XLogP-1.03
TPSA77.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione?
The IUPAC name of 1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione (CID 5325331) is 1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione is O=C1NC(=O)N(CN2CCOCC2)CN1CN1CCOCC1.
What is the InChIKey of 1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione?
The InChIKey is MTYCRUYDLAPWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O4/c19-12-14-13(20)18(10-16-3-7-22-8-4-16)11-17(12)9-15-1-5-21-6-2-15/h1-11H2,(H,14,19,20).
What are the key properties of 1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione?
1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione has a molecular weight of 313.36 g/mol, XLogP of -1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 5325331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).