2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-fluoro-4-methylphenyl)ethanamine

C14H18FN5 — CID 64576845

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-fluoro-4-methylphenyl)ethanamine
SMILESCc1ccc(C(CN)N2CCn3cnnc3C2)cc1F
InChIInChI=1S/C14H18FN5/c1-10-2-3-11(6-12(10)15)13(7-16)19-4-5-20-9-17-18-14(20)8-19/h2-3,6,9,13H,4-5,7-8,16H2,1H3
InChIKeyFLKFBPMEECBQKG-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.24
Rot. Bonds3

About 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-fluoro-4-methylphenyl)ethanamine

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-fluoro-4-methylphenyl)ethanamine (PubChem CID 64576845) has the molecular formula C14H18FN5 and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-fluoro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-fluoro-4-methylphenyl)ethanamine
PubChem CID64576845
Molecular FormulaC14H18FN5
Molecular Weight275.33 g/mol
Exact Mass275.15
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-fluoro-4-methylphenyl)ethanamine
SMILESCc1ccc(C(CN)N2CCn3cnnc3C2)cc1F
InChIInChI=1S/C14H18FN5/c1-10-2-3-11(6-12(10)15)13(7-16)19-4-5-20-9-17-18-14(20)8-19/h2-3,6,9,13H,4-5,7-8,16H2,1H3
InChIKeyFLKFBPMEECBQKG-UHFFFAOYSA-N
XLogP1.24
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-fluoro-4-methylphenyl)ethanamine?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-fluoro-4-methylphenyl)ethanamine (CID 64576845) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-fluoro-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-fluoro-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-fluoro-4-methylphenyl)ethanamine is Cc1ccc(C(CN)N2CCn3cnnc3C2)cc1F.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-fluoro-4-methylphenyl)ethanamine?
The InChIKey is FLKFBPMEECBQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5/c1-10-2-3-11(6-12(10)15)13(7-16)19-4-5-20-9-17-18-14(20)8-19/h2-3,6,9,13H,4-5,7-8,16H2,1H3.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-fluoro-4-methylphenyl)ethanamine?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-fluoro-4-methylphenyl)ethanamine has a molecular weight of 275.33 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-fluoro-4-methylphenyl)ethanamine is sourced from PubChem (CID 64576845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).