1-(pyrrolidin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one

C11H18F3N3O — CID 84807581

IUPAC1-(pyrrolidin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
SMILESO=C1N(CC2CCNC2)CCCN1CC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c12-11(13,14)8-17-5-1-4-16(10(17)18)7-9-2-3-15-6-9/h9,15H,1-8H2
InChIKeyDASJLNADAODXRB-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.29
Rot. Bonds3

About 1-(pyrrolidin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one

1-(pyrrolidin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one (PubChem CID 84807581) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-(pyrrolidin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(pyrrolidin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
PubChem CID84807581
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name1-(pyrrolidin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
SMILESO=C1N(CC2CCNC2)CCCN1CC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c12-11(13,14)8-17-5-1-4-16(10(17)18)7-9-2-3-15-6-9/h9,15H,1-8H2
InChIKeyDASJLNADAODXRB-UHFFFAOYSA-N
XLogP1.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(pyrrolidin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(pyrrolidin-3-ylmethyl)-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 84814050
1-piperidin-4-yl-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
CID 84807583
1-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one
CID 84798422
1-ethyl-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
CID 178098832
3-methyl-1-(pyrrolidin-3-ylmethyl)-1,4-diazepan-2-one
CID 115102005
1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
CID 84790835
1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride
CID 155973196
4-tert-butyl-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-one
CID 116979101
1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolidine
CID 58880458
1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86311653
1-(piperidin-4-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 62967874
1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)piperidine
CID 62370892

Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(pyrrolidin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one (CID 84807581) is 1-(pyrrolidin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(pyrrolidin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(pyrrolidin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one is O=C1N(CC2CCNC2)CCCN1CC(F)(F)F.
What is the InChIKey of 1-(pyrrolidin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one?
The InChIKey is DASJLNADAODXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c12-11(13,14)8-17-5-1-4-16(10(17)18)7-9-2-3-15-6-9/h9,15H,1-8H2.
What are the key properties of 1-(pyrrolidin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one?
1-(pyrrolidin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one has a molecular weight of 265.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 84807581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).