(8R)-3-(difluoromethyl)-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C12H11F3N4 — CID 155294556

IUPAC(8R)-3-(difluoromethyl)-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1ccc([C@H]2NCCn3c(C(F)F)nnc32)cc1
InChIInChI=1S/C12H11F3N4/c13-8-3-1-7(2-4-8)9-11-17-18-12(10(14)15)19(11)6-5-16-9/h1-4,9-10,16H,5-6H2/t9-/m1/s1
InChIKeyVIURWJWBZINNPF-SECBINFHSA-N
MW268.24 g/mol
LogP2.05
Rot. Bonds2

About (8R)-3-(difluoromethyl)-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

(8R)-3-(difluoromethyl)-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 155294556) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is (8R)-3-(difluoromethyl)-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name(8R)-3-(difluoromethyl)-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID155294556
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name(8R)-3-(difluoromethyl)-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1ccc([C@H]2NCCn3c(C(F)F)nnc32)cc1
InChIInChI=1S/C12H11F3N4/c13-8-3-1-7(2-4-8)9-11-17-18-12(10(14)15)19(11)6-5-16-9/h1-4,9-10,16H,5-6H2/t9-/m1/s1
InChIKeyVIURWJWBZINNPF-SECBINFHSA-N
XLogP2.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (8R)-3-(difluoromethyl)-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

3-(1-cyclopropylethyl)-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 83151447
3-pentan-3-yl-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792398
8-(4-chlorophenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
CID 155294550
3,8-dipyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792330
3-(3-methylbutan-2-yl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792235
(8S)-8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 94502047
4-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)thiadiazole
CID 65216249
(3S)-3-(difluoromethyl)-1-(4-fluorophenyl)piperazine
CID 125499820
4-methyl-5-(8-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole
CID 102792292
4-methyl-5-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole
CID 62587890
3-(2,5-difluorophenyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791553
3-(oxan-4-yl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792393

Frequently Asked Questions

What is the IUPAC name of (8R)-3-(difluoromethyl)-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of (8R)-3-(difluoromethyl)-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 155294556) is (8R)-3-(difluoromethyl)-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for (8R)-3-(difluoromethyl)-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for (8R)-3-(difluoromethyl)-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is Fc1ccc([C@H]2NCCn3c(C(F)F)nnc32)cc1.
What is the InChIKey of (8R)-3-(difluoromethyl)-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is VIURWJWBZINNPF-SECBINFHSA-N. The full InChI is InChI=1S/C12H11F3N4/c13-8-3-1-7(2-4-8)9-11-17-18-12(10(14)15)19(11)6-5-16-9/h1-4,9-10,16H,5-6H2/t9-/m1/s1.
What are the key properties of (8R)-3-(difluoromethyl)-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
(8R)-3-(difluoromethyl)-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 268.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-3-(difluoromethyl)-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 155294556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).