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

C12H13FN4O — CID 65434459

IUPAC3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1cccc(F)c1-c1nnc2n1CCNC2
InChIInChI=1S/C12H13FN4O/c1-18-9-4-2-3-8(13)11(9)12-16-15-10-7-14-5-6-17(10)12/h2-4,14H,5-7H2,1H3
InChIKeyOVAMJBQCPAEMIB-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.20
Rot. Bonds2

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

3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 65434459) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID65434459
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1cccc(F)c1-c1nnc2n1CCNC2
InChIInChI=1S/C12H13FN4O/c1-18-9-4-2-3-8(13)11(9)12-16-15-10-7-14-5-6-17(10)12/h2-4,14H,5-7H2,1H3
InChIKeyOVAMJBQCPAEMIB-UHFFFAOYSA-N
XLogP1.20
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.20
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)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 65434459) is 3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is COc1cccc(F)c1-c1nnc2n1CCNC2.
What is the InChIKey of 3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is OVAMJBQCPAEMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-18-9-4-2-3-8(13)11(9)12-16-15-10-7-14-5-6-17(10)12/h2-4,14H,5-7H2,1H3.
What are the key properties of 3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 248.26 g/mol, XLogP of 1.20, 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)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 65434459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).