3-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C17H18FN5O — CID 133478585

IUPAC3-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCN(CCOc1ccccc1F)c1nccn2c(C3CC3)nnc12
InChIInChI=1S/C17H18FN5O/c1-22(10-11-24-14-5-3-2-4-13(14)18)16-17-21-20-15(12-6-7-12)23(17)9-8-19-16/h2-5,8-9,12H,6-7,10-11H2,1H3
InChIKeyLDZGSZIMICTXBX-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.66
Rot. Bonds6

About 3-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 133478585) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID133478585
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name3-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCN(CCOc1ccccc1F)c1nccn2c(C3CC3)nnc12
InChIInChI=1S/C17H18FN5O/c1-22(10-11-24-14-5-3-2-4-13(14)18)16-17-21-20-15(12-6-7-12)23(17)9-8-19-16/h2-5,8-9,12H,6-7,10-11H2,1H3
InChIKeyLDZGSZIMICTXBX-UHFFFAOYSA-N
XLogP2.66
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 133478585) is 3-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CN(CCOc1ccccc1F)c1nccn2c(C3CC3)nnc12.
What is the InChIKey of 3-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is LDZGSZIMICTXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-22(10-11-24-14-5-3-2-4-13(14)18)16-17-21-20-15(12-6-7-12)23(17)9-8-19-16/h2-5,8-9,12H,6-7,10-11H2,1H3.
What are the key properties of 3-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 327.36 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 133478585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).