7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C11H11ClF3N5O — CID 114562737

IUPAC7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1NCC2CN(c3cc(C(F)(F)F)nc(Cl)n3)CCN12
InChIInChI=1S/C11H11ClF3N5O/c12-9-17-7(11(13,14)15)3-8(18-9)19-1-2-20-6(5-19)4-16-10(20)21/h3,6H,1-2,4-5H2,(H,16,21)
InChIKeyACVJOUDCTRVAJJ-UHFFFAOYSA-N
MW321.69 g/mol
LogP1.36
Rot. Bonds1

About 7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 114562737) has the molecular formula C11H11ClF3N5O and a molecular weight of 321.69 g/mol. Its IUPAC name is 7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID114562737
Molecular FormulaC11H11ClF3N5O
Molecular Weight321.69 g/mol
Exact Mass321.06
IUPAC Name7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1NCC2CN(c3cc(C(F)(F)F)nc(Cl)n3)CCN12
InChIInChI=1S/C11H11ClF3N5O/c12-9-17-7(11(13,14)15)3-8(18-9)19-1-2-20-6(5-19)4-16-10(20)21/h3,6H,1-2,4-5H2,(H,16,21)
InChIKeyACVJOUDCTRVAJJ-UHFFFAOYSA-N
XLogP1.36
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.69
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-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-(4-(4-(2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-1,1-diethylurea
CID 44409731
1-Tert-butyl-3-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)urea
CID 44409890
1-(4-(4-(2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-3-neopentylurea
CID 44409891
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-methylpiperazine-1-carboxamide
CID 73669717
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-ethylpiperazine-1-carboxamide
CID 73669718
4-propan-2-yl-N-[4-[4-[2-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]piperazine-1-carboxamide
CID 137554067
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 90655031
4-(difluoromethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 118720436
N~4~-[4-(1-pyrrolidinyl)-6-(trifluoromethyl)-2-pyrimidinyl]-6-(trifluoromethyl)-2,4-pyrimidinediamine
CID 5347853
2-acetamido-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}acetamide
CID 91631455
[(3S)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 171359207
2-Methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine
CID 4778294

Frequently Asked Questions

What is the IUPAC name of 7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 114562737) is 7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C1NCC2CN(c3cc(C(F)(F)F)nc(Cl)n3)CCN12.
What is the InChIKey of 7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is ACVJOUDCTRVAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N5O/c12-9-17-7(11(13,14)15)3-8(18-9)19-1-2-20-6(5-19)4-16-10(20)21/h3,6H,1-2,4-5H2,(H,16,21).
What are the key properties of 7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 321.69 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 114562737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).