5-butan-2-yl-1,3-dimethyl-1,3,5-triazinan-2-one

C9H19N3O — CID 15395305

IUPAC5-butan-2-yl-1,3-dimethyl-1,3,5-triazinan-2-one
SMILESCCC(C)N1CN(C)C(=O)N(C)C1
InChIInChI=1S/C9H19N3O/c1-5-8(2)12-6-10(3)9(13)11(4)7-12/h8H,5-7H2,1-4H3
InChIKeyFNNSTKVETGKVPQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.00
Rot. Bonds2

About 5-butan-2-yl-1,3-dimethyl-1,3,5-triazinan-2-one

5-butan-2-yl-1,3-dimethyl-1,3,5-triazinan-2-one (PubChem CID 15395305) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 5-butan-2-yl-1,3-dimethyl-1,3,5-triazinan-2-one.

Molecular Properties

Compound Name5-butan-2-yl-1,3-dimethyl-1,3,5-triazinan-2-one
PubChem CID15395305
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name5-butan-2-yl-1,3-dimethyl-1,3,5-triazinan-2-one
SMILESCCC(C)N1CN(C)C(=O)N(C)C1
InChIInChI=1S/C9H19N3O/c1-5-8(2)12-6-10(3)9(13)11(4)7-12/h8H,5-7H2,1-4H3
InChIKeyFNNSTKVETGKVPQ-UHFFFAOYSA-N
XLogP1.00
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1,3-dimethyl-1,3,5-triazinan-2-one?
The IUPAC name of 5-butan-2-yl-1,3-dimethyl-1,3,5-triazinan-2-one (CID 15395305) is 5-butan-2-yl-1,3-dimethyl-1,3,5-triazinan-2-one.
What is the SMILES notation for 5-butan-2-yl-1,3-dimethyl-1,3,5-triazinan-2-one?
The canonical SMILES for 5-butan-2-yl-1,3-dimethyl-1,3,5-triazinan-2-one is CCC(C)N1CN(C)C(=O)N(C)C1.
What is the InChIKey of 5-butan-2-yl-1,3-dimethyl-1,3,5-triazinan-2-one?
The InChIKey is FNNSTKVETGKVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-5-8(2)12-6-10(3)9(13)11(4)7-12/h8H,5-7H2,1-4H3.
What are the key properties of 5-butan-2-yl-1,3-dimethyl-1,3,5-triazinan-2-one?
5-butan-2-yl-1,3-dimethyl-1,3,5-triazinan-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1,3-dimethyl-1,3,5-triazinan-2-one is sourced from PubChem (CID 15395305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).