1,3-bis(3-hydroxypropyl)-5-methyl-1,3,5-triazinane-2,4,6-trione

C10H17N3O5 — CID 12062943

IUPAC1,3-bis(3-hydroxypropyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCn1c(=O)n(CCCO)c(=O)n(CCCO)c1=O
InChIInChI=1S/C10H17N3O5/c1-11-8(16)12(4-2-6-14)10(18)13(9(11)17)5-3-7-15/h14-15H,2-7H2,1H3
InChIKeyNCVDICYAMGKNBV-UHFFFAOYSA-N
MW259.26 g/mol
LogP-2.53
Rot. Bonds6

About 1,3-bis(3-hydroxypropyl)-5-methyl-1,3,5-triazinane-2,4,6-trione

1,3-bis(3-hydroxypropyl)-5-methyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 12062943) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1,3-bis(3-hydroxypropyl)-5-methyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis(3-hydroxypropyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
PubChem CID12062943
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name1,3-bis(3-hydroxypropyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCn1c(=O)n(CCCO)c(=O)n(CCCO)c1=O
InChIInChI=1S/C10H17N3O5/c1-11-8(16)12(4-2-6-14)10(18)13(9(11)17)5-3-7-15/h14-15H,2-7H2,1H3
InChIKeyNCVDICYAMGKNBV-UHFFFAOYSA-N
XLogP-2.53
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-2.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-hydroxypropyl)-5-methyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-bis(3-hydroxypropyl)-5-methyl-1,3,5-triazinane-2,4,6-trione (CID 12062943) is 1,3-bis(3-hydroxypropyl)-5-methyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis(3-hydroxypropyl)-5-methyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis(3-hydroxypropyl)-5-methyl-1,3,5-triazinane-2,4,6-trione is Cn1c(=O)n(CCCO)c(=O)n(CCCO)c1=O.
What is the InChIKey of 1,3-bis(3-hydroxypropyl)-5-methyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is NCVDICYAMGKNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5/c1-11-8(16)12(4-2-6-14)10(18)13(9(11)17)5-3-7-15/h14-15H,2-7H2,1H3.
What are the key properties of 1,3-bis(3-hydroxypropyl)-5-methyl-1,3,5-triazinane-2,4,6-trione?
1,3-bis(3-hydroxypropyl)-5-methyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 259.26 g/mol, XLogP of -2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-hydroxypropyl)-5-methyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 12062943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).