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

C5H9N3O4 — CID 15309371

IUPAC1,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4-dione
SMILESO=C1NC(=O)N(CO)CN1CO
InChIInChI=1S/C5H9N3O4/c9-2-7-1-8(3-10)5(12)6-4(7)11/h9-10H,1-3H2,(H,6,11,12)
InChIKeyQHOMGWGICGVBIY-UHFFFAOYSA-N
MW175.14 g/mol
LogP-1.71
Rot. Bonds2

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

1,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4-dione (PubChem CID 15309371) has the molecular formula C5H9N3O4 and a molecular weight of 175.14 g/mol. Its IUPAC name is 1,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name1,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4-dione
PubChem CID15309371
Molecular FormulaC5H9N3O4
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC Name1,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4-dione
SMILESO=C1NC(=O)N(CO)CN1CO
InChIInChI=1S/C5H9N3O4/c9-2-7-1-8(3-10)5(12)6-4(7)11/h9-10H,1-3H2,(H,6,11,12)
InChIKeyQHOMGWGICGVBIY-UHFFFAOYSA-N
XLogP-1.71
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-1.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4-dione?
The IUPAC name of 1,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4-dione (CID 15309371) is 1,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 1,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 1,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4-dione is O=C1NC(=O)N(CO)CN1CO.
What is the InChIKey of 1,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4-dione?
The InChIKey is QHOMGWGICGVBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O4/c9-2-7-1-8(3-10)5(12)6-4(7)11/h9-10H,1-3H2,(H,6,11,12).
What are the key properties of 1,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4-dione?
1,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4-dione has a molecular weight of 175.14 g/mol, XLogP of -1.71, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 15309371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).