3-(2-fluoro-6-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C13H15FN4O — CID 65434460

IUPAC3-(2-fluoro-6-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1cccc(F)c1-c1nnc2n1CCNC2C
InChIInChI=1S/C13H15FN4O/c1-8-12-16-17-13(18(12)7-6-15-8)11-9(14)4-3-5-10(11)19-2/h3-5,8,15H,6-7H2,1-2H3
InChIKeyIPCGTIFTCVVMDZ-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.76
Rot. Bonds2

About 3-(2-fluoro-6-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

3-(2-fluoro-6-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 65434460) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 3-(2-fluoro-6-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(2-fluoro-6-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID65434460
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name3-(2-fluoro-6-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1cccc(F)c1-c1nnc2n1CCNC2C
InChIInChI=1S/C13H15FN4O/c1-8-12-16-17-13(18(12)7-6-15-8)11-9(14)4-3-5-10(11)19-2/h3-5,8,15H,6-7H2,1-2H3
InChIKeyIPCGTIFTCVVMDZ-UHFFFAOYSA-N
XLogP1.76
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-6-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(2-fluoro-6-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 65434460) is 3-(2-fluoro-6-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(2-fluoro-6-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(2-fluoro-6-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is COc1cccc(F)c1-c1nnc2n1CCNC2C.
What is the InChIKey of 3-(2-fluoro-6-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is IPCGTIFTCVVMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-8-12-16-17-13(18(12)7-6-15-8)11-9(14)4-3-5-10(11)19-2/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of 3-(2-fluoro-6-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(2-fluoro-6-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 262.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-6-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 65434460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).