1-(hydroxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one

C6H13N3O2 — CID 20648429

IUPAC1-(hydroxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one
SMILESCN1CN(C)C(=O)N(CO)C1
InChIInChI=1S/C6H13N3O2/c1-7-3-8(2)6(11)9(4-7)5-10/h10H,3-5H2,1-2H3
InChIKeyRRXCQKHJZBQZEP-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.85
Rot. Bonds1

About 1-(hydroxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one

1-(hydroxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one (PubChem CID 20648429) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-(hydroxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one.

Molecular Properties

Compound Name1-(hydroxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one
PubChem CID20648429
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name1-(hydroxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one
SMILESCN1CN(C)C(=O)N(CO)C1
InChIInChI=1S/C6H13N3O2/c1-7-3-8(2)6(11)9(4-7)5-10/h10H,3-5H2,1-2H3
InChIKeyRRXCQKHJZBQZEP-UHFFFAOYSA-N
XLogP-0.85
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,5-Triazin-2(1H)-one, 5-ethyltetrahydro-1,3-bis(hydroxymethyl)-
CID 67261
4H-1,3,5-Oxadiazin-4-one, tetrahydro-3,5-bis(hydroxymethyl)-
CID 81763
1,3,5-Tris(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 12465430
1-Methyl 3,5-bis-(hydroxymethyl)isocyanurate
CID 15495785
Tetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one
CID 88206
1,3-Bis(hydroxymethyl)-5-methyl-1,3,5-triazinan-2-one
CID 21999172
1,3-Bis(hydroxymethyl)-1,3-dimethylurea
CID 10374592
6-Hydroxy-1,3,5-trimethyl-1,3,5-triazinane-2,4-dione
CID 13484842
1-(Methoxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one
CID 18721204
3-(Hydroxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one
CID 20648431
1-(Hydroxymethyl)-3,5-bis(methoxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 21303671
5-(Hydroxymethyl)-1,3,5-triazinan-2-one
CID 21365261

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one?
The IUPAC name of 1-(hydroxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one (CID 20648429) is 1-(hydroxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one.
What is the SMILES notation for 1-(hydroxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one?
The canonical SMILES for 1-(hydroxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one is CN1CN(C)C(=O)N(CO)C1.
What is the InChIKey of 1-(hydroxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one?
The InChIKey is RRXCQKHJZBQZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-7-3-8(2)6(11)9(4-7)5-10/h10H,3-5H2,1-2H3.
What are the key properties of 1-(hydroxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one?
1-(hydroxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one has a molecular weight of 159.19 g/mol, XLogP of -0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-3,5-dimethyl-1,3,5-triazinan-2-one is sourced from PubChem (CID 20648429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).