1,3-dimethyl-5-propyl-1,3,5-triazinan-2-one

C8H17N3O — CID 11788545

IUPAC1,3-dimethyl-5-propyl-1,3,5-triazinan-2-one
SMILESCCCN1CN(C)C(=O)N(C)C1
InChIInChI=1S/C8H17N3O/c1-4-5-11-6-9(2)8(12)10(3)7-11/h4-7H2,1-3H3
InChIKeyLJRBELLLXJIUNQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.61
Rot. Bonds2

About 1,3-dimethyl-5-propyl-1,3,5-triazinan-2-one

1,3-dimethyl-5-propyl-1,3,5-triazinan-2-one (PubChem CID 11788545) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1,3-dimethyl-5-propyl-1,3,5-triazinan-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-propyl-1,3,5-triazinan-2-one
PubChem CID11788545
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1,3-dimethyl-5-propyl-1,3,5-triazinan-2-one
SMILESCCCN1CN(C)C(=O)N(C)C1
InChIInChI=1S/C8H17N3O/c1-4-5-11-6-9(2)8(12)10(3)7-11/h4-7H2,1-3H3
InChIKeyLJRBELLLXJIUNQ-UHFFFAOYSA-N
XLogP0.61
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propyl-1,3,5-triazinan-2-one?
The IUPAC name of 1,3-dimethyl-5-propyl-1,3,5-triazinan-2-one (CID 11788545) is 1,3-dimethyl-5-propyl-1,3,5-triazinan-2-one.
What is the SMILES notation for 1,3-dimethyl-5-propyl-1,3,5-triazinan-2-one?
The canonical SMILES for 1,3-dimethyl-5-propyl-1,3,5-triazinan-2-one is CCCN1CN(C)C(=O)N(C)C1.
What is the InChIKey of 1,3-dimethyl-5-propyl-1,3,5-triazinan-2-one?
The InChIKey is LJRBELLLXJIUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-4-5-11-6-9(2)8(12)10(3)7-11/h4-7H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-propyl-1,3,5-triazinan-2-one?
1,3-dimethyl-5-propyl-1,3,5-triazinan-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propyl-1,3,5-triazinan-2-one is sourced from PubChem (CID 11788545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).