1,3,4,4,5-pentamethyl-1,3,5-triazinan-2-one

C8H17N3O — CID 90783932

IUPAC1,3,4,4,5-pentamethyl-1,3,5-triazinan-2-one
SMILESCN1CN(C)C(C)(C)N(C)C1=O
InChIInChI=1S/C8H17N3O/c1-8(2)10(4)6-9(3)7(12)11(8)5/h6H2,1-5H3
InChIKeyNQYHQXUBTJFFLX-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.61
Rot. Bonds

About 1,3,4,4,5-pentamethyl-1,3,5-triazinan-2-one

1,3,4,4,5-pentamethyl-1,3,5-triazinan-2-one (PubChem CID 90783932) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1,3,4,4,5-pentamethyl-1,3,5-triazinan-2-one.

Molecular Properties

Compound Name1,3,4,4,5-pentamethyl-1,3,5-triazinan-2-one
PubChem CID90783932
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1,3,4,4,5-pentamethyl-1,3,5-triazinan-2-one
SMILESCN1CN(C)C(C)(C)N(C)C1=O
InChIInChI=1S/C8H17N3O/c1-8(2)10(4)6-9(3)7(12)11(8)5/h6H2,1-5H3
InChIKeyNQYHQXUBTJFFLX-UHFFFAOYSA-N
XLogP0.61
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,5-tripropyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
CID 77630
1,3,5-Tri(propan-2-yl)-1,3,5-triazinane-2,4-dione
CID 21574862
1,3,5-Tri(propan-2-yl)-1,3,5-triazinane-2,4,6-trione
CID 13059222
1,3-Dimethyl-5-propan-2-yl-1,3,5-triazinan-2-one
CID 15395303
1,3,5-Tripropyl-1,3,5-triazinane-2,4-dione
CID 21574859
1,3-Dimethyl-5-propyl-1,3,5-triazinan-2-one
CID 11788545
3,5-Ditert-butyl-1,3,5-triazinane-1-carbaldehyde
CID 14638327
5-Butyl-1,3-dimethyl-1,3,5-triazinan-2-one
CID 15395304
5-Butan-2-yl-1,3-dimethyl-1,3,5-triazinan-2-one
CID 15395305
1,3,5-Triethyl-1,3,5-triazinane-2,4-dione
CID 21574858
1,3,5,6,6-Pentamethyl-1,3,5-triazinane-2,4-dione
CID 12226920
5-tert-Butyl-1,3-dimethyl-1,3,5-triazinan-2-one
CID 12397332

Frequently Asked Questions

What is the IUPAC name of 1,3,4,4,5-pentamethyl-1,3,5-triazinan-2-one?
The IUPAC name of 1,3,4,4,5-pentamethyl-1,3,5-triazinan-2-one (CID 90783932) is 1,3,4,4,5-pentamethyl-1,3,5-triazinan-2-one.
What is the SMILES notation for 1,3,4,4,5-pentamethyl-1,3,5-triazinan-2-one?
The canonical SMILES for 1,3,4,4,5-pentamethyl-1,3,5-triazinan-2-one is CN1CN(C)C(C)(C)N(C)C1=O.
What is the InChIKey of 1,3,4,4,5-pentamethyl-1,3,5-triazinan-2-one?
The InChIKey is NQYHQXUBTJFFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-8(2)10(4)6-9(3)7(12)11(8)5/h6H2,1-5H3.
What are the key properties of 1,3,4,4,5-pentamethyl-1,3,5-triazinan-2-one?
1,3,4,4,5-pentamethyl-1,3,5-triazinan-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,4,5-pentamethyl-1,3,5-triazinan-2-one is sourced from PubChem (CID 90783932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).