1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]-N-methylmethanamine

C13H16FN5 — CID 64575738

IUPAC1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1N1CCn2cnnc2C1
InChIInChI=1S/C13H16FN5/c1-15-7-10-6-11(14)2-3-12(10)18-4-5-19-9-16-17-13(19)8-18/h2-3,6,9,15H,4-5,7-8H2,1H3
InChIKeySNKFEMFLMJJPOD-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.16
Rot. Bonds3

About 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]-N-methylmethanamine

1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]-N-methylmethanamine (PubChem CID 64575738) has the molecular formula C13H16FN5 and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]-N-methylmethanamine
PubChem CID64575738
Molecular FormulaC13H16FN5
Molecular Weight261.30 g/mol
Exact Mass261.14
IUPAC Name1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1N1CCn2cnnc2C1
InChIInChI=1S/C13H16FN5/c1-15-7-10-6-11(14)2-3-12(10)18-4-5-19-9-16-17-13(19)8-18/h2-3,6,9,15H,4-5,7-8H2,1H3
InChIKeySNKFEMFLMJJPOD-UHFFFAOYSA-N
XLogP1.16
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]-N-methylmethanamine (CID 64575738) is 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]-N-methylmethanamine is CNCc1cc(F)ccc1N1CCn2cnnc2C1.
What is the InChIKey of 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]-N-methylmethanamine?
The InChIKey is SNKFEMFLMJJPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5/c1-15-7-10-6-11(14)2-3-12(10)18-4-5-19-9-16-17-13(19)8-18/h2-3,6,9,15H,4-5,7-8H2,1H3.
What are the key properties of 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]-N-methylmethanamine?
1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]-N-methylmethanamine has a molecular weight of 261.30 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 64575738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).