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

C14H17FN4 — CID 102792595

IUPAC3-(3-fluorophenyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCC1NCCn2c(-c3cccc(F)c3)nnc21
InChIInChI=1S/C14H17FN4/c1-2-4-12-14-18-17-13(19(14)8-7-16-12)10-5-3-6-11(15)9-10/h3,5-6,9,12,16H,2,4,7-8H2,1H3
InChIKeyMROUAENKECNATO-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.53
Rot. Bonds3

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

3-(3-fluorophenyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102792595) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102792595
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name3-(3-fluorophenyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCC1NCCn2c(-c3cccc(F)c3)nnc21
InChIInChI=1S/C14H17FN4/c1-2-4-12-14-18-17-13(19(14)8-7-16-12)10-5-3-6-11(15)9-10/h3,5-6,9,12,16H,2,4,7-8H2,1H3
InChIKeyMROUAENKECNATO-UHFFFAOYSA-N
XLogP2.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluorophenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62585728
3-(2,5-difluorophenyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791553
8-ethyl-3-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791526
3-(2,4-difluoro-5-methylphenyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791569
3-(1,1,2,2,2-pentafluoroethyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792563
3-(3-fluoro-4-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62585909
3-butan-2-yl-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792492
3-(2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792444
8-propyl-3-(3-thiophen-2-ylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792424
3-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117149032
3-[(2,3-difluorophenyl)methyl]-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791536
3-(4-fluoro-3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 81284224

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(3-fluorophenyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102792595) is 3-(3-fluorophenyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(3-fluorophenyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(3-fluorophenyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CCCC1NCCn2c(-c3cccc(F)c3)nnc21.
What is the InChIKey of 3-(3-fluorophenyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is MROUAENKECNATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-2-4-12-14-18-17-13(19(14)8-7-16-12)10-5-3-6-11(15)9-10/h3,5-6,9,12,16H,2,4,7-8H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(3-fluorophenyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 260.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102792595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).