6-amino-2-(trifluoromethyl)-1,3-diazinan-4-one

C5H8F3N3O — CID 78175987

IUPAC6-amino-2-(trifluoromethyl)-1,3-diazinan-4-one
SMILESNC1CC(=O)NC(C(F)(F)F)N1
InChIInChI=1S/C5H8F3N3O/c6-5(7,8)4-10-2(9)1-3(12)11-4/h2,4,10H,1,9H2,(H,11,12)
InChIKeyOFCKQINVALKSCV-UHFFFAOYSA-N
MW183.13 g/mol
LogP-0.73
Rot. Bonds

About 6-amino-2-(trifluoromethyl)-1,3-diazinan-4-one

6-amino-2-(trifluoromethyl)-1,3-diazinan-4-one (PubChem CID 78175987) has the molecular formula C5H8F3N3O and a molecular weight of 183.13 g/mol. Its IUPAC name is 6-amino-2-(trifluoromethyl)-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-amino-2-(trifluoromethyl)-1,3-diazinan-4-one
PubChem CID78175987
Molecular FormulaC5H8F3N3O
Molecular Weight183.13 g/mol
Exact Mass183.06
IUPAC Name6-amino-2-(trifluoromethyl)-1,3-diazinan-4-one
SMILESNC1CC(=O)NC(C(F)(F)F)N1
InChIInChI=1S/C5H8F3N3O/c6-5(7,8)4-10-2(9)1-3(12)11-4/h2,4,10H,1,9H2,(H,11,12)
InChIKeyOFCKQINVALKSCV-UHFFFAOYSA-N
XLogP-0.73
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-amino-2-(trifluoromethyl)-1,3-diazinan-4-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

3-amino-6-(trifluoromethyl)piperidin-2-one
CID 43810944
5-aminopyrrolidin-2-one
CID 12638466
(5R)-5-(trifluoromethyl)pyrrolidin-2-one
CID 66570764
6-amino-1,3-diazinane-2,4-dione
CID 20811425
2-(trifluoromethyl)-2,3,4a,6,7,7a-hexahydro-1H-thieno[3,2-d]pyrimidin-4-one
CID 170906568
5-aminopyrrolidin-2-one;hydrochloride
CID 67838433
(5R)-5-aminopyrrolidin-2-one;hydrochloride
CID 67838431
4-amino-6-fluoropiperidin-2-one
CID 75002056
5-amino-6-tert-butylpiperidin-2-one
CID 122236933
5-(trifluoromethyl)azepan-2-one
CID 12579051
2-amino-6-(hydroxymethyl)-1,3-diazinan-4-one
CID 74659874
3-aminopiperidine-2,6-dione;hydron;chloride
CID 22455952

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(trifluoromethyl)-1,3-diazinan-4-one?
The IUPAC name of 6-amino-2-(trifluoromethyl)-1,3-diazinan-4-one (CID 78175987) is 6-amino-2-(trifluoromethyl)-1,3-diazinan-4-one.
What is the SMILES notation for 6-amino-2-(trifluoromethyl)-1,3-diazinan-4-one?
The canonical SMILES for 6-amino-2-(trifluoromethyl)-1,3-diazinan-4-one is NC1CC(=O)NC(C(F)(F)F)N1.
What is the InChIKey of 6-amino-2-(trifluoromethyl)-1,3-diazinan-4-one?
The InChIKey is OFCKQINVALKSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N3O/c6-5(7,8)4-10-2(9)1-3(12)11-4/h2,4,10H,1,9H2,(H,11,12).
What are the key properties of 6-amino-2-(trifluoromethyl)-1,3-diazinan-4-one?
6-amino-2-(trifluoromethyl)-1,3-diazinan-4-one has a molecular weight of 183.13 g/mol, XLogP of -0.73, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(trifluoromethyl)-1,3-diazinan-4-one is sourced from PubChem (CID 78175987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).