1-(7-methyltridecan-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

C21H36F3N3 — CID 146600279

IUPAC1-(7-methyltridecan-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
SMILESCCCCCCC(C)(CCCCCC)c1nc(C(F)(F)F)n2c1CNCC2
InChIInChI=1S/C21H36F3N3/c1-4-6-8-10-12-20(3,13-11-9-7-5-2)18-17-16-25-14-15-27(17)19(26-18)21(22,23)24/h25H,4-16H2,1-3H3
InChIKeyDRFOYESIBSRICC-UHFFFAOYSA-N
MW387.53 g/mol
LogP6.20
Rot. Bonds11

About 1-(7-methyltridecan-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

1-(7-methyltridecan-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine (PubChem CID 146600279) has the molecular formula C21H36F3N3 and a molecular weight of 387.53 g/mol. Its IUPAC name is 1-(7-methyltridecan-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1-(7-methyltridecan-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
PubChem CID146600279
Molecular FormulaC21H36F3N3
Molecular Weight387.53 g/mol
Exact Mass387.29
IUPAC Name1-(7-methyltridecan-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
SMILESCCCCCCC(C)(CCCCCC)c1nc(C(F)(F)F)n2c1CNCC2
InChIInChI=1S/C21H36F3N3/c1-4-6-8-10-12-20(3,13-11-9-7-5-2)18-17-16-25-14-15-27(17)19(26-18)21(22,23)24/h25H,4-16H2,1-3H3
InChIKeyDRFOYESIBSRICC-UHFFFAOYSA-N
XLogP6.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide
CID 76849414
N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide
CID 76848918
1-tert-butyl-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 83637202
1-(2-methoxyphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 141185810
(4-methylsulfonylpiperazin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone
CID 141192720
7-methyl-1-propyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 162606875
2-tert-butyl-1-octan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858543
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
CID 11961371
5-fluoro-1,3-dimethyl-4-(6-methyldodecan-6-yl)pyrazole
CID 146376882
5-fluoro-1,4-dimethyl-3-(6-methyldodecan-6-yl)pyrazole
CID 146376862
(3-hydroxyazetidin-3-yl)-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]methanone
CID 167961518
2-heptyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66278815

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyltridecan-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
The IUPAC name of 1-(7-methyltridecan-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine (CID 146600279) is 1-(7-methyltridecan-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine.
What is the SMILES notation for 1-(7-methyltridecan-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
The canonical SMILES for 1-(7-methyltridecan-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine is CCCCCCC(C)(CCCCCC)c1nc(C(F)(F)F)n2c1CNCC2.
What is the InChIKey of 1-(7-methyltridecan-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
The InChIKey is DRFOYESIBSRICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36F3N3/c1-4-6-8-10-12-20(3,13-11-9-7-5-2)18-17-16-25-14-15-27(17)19(26-18)21(22,23)24/h25H,4-16H2,1-3H3.
What are the key properties of 1-(7-methyltridecan-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
1-(7-methyltridecan-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine has a molecular weight of 387.53 g/mol, XLogP of 6.20, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyltridecan-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine is sourced from PubChem (CID 146600279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).