5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]triazolo[4,5-b]pyrazine

C18H14FN5O — CID 70677399

IUPAC5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]triazolo[4,5-b]pyrazine
SMILESCOc1ccc(Cn2nnc3ncc(-c4ccc(F)cc4)nc32)cc1
InChIInChI=1S/C18H14FN5O/c1-25-15-8-2-12(3-9-15)11-24-18-17(22-23-24)20-10-16(21-18)13-4-6-14(19)7-5-13/h2-10H,11H2,1H3
InChIKeyJMFRERGITRZIIC-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.08
Rot. Bonds4

About 5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]triazolo[4,5-b]pyrazine

5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]triazolo[4,5-b]pyrazine (PubChem CID 70677399) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]triazolo[4,5-b]pyrazine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]triazolo[4,5-b]pyrazine
PubChem CID70677399
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]triazolo[4,5-b]pyrazine
SMILESCOc1ccc(Cn2nnc3ncc(-c4ccc(F)cc4)nc32)cc1
InChIInChI=1S/C18H14FN5O/c1-25-15-8-2-12(3-9-15)11-24-18-17(22-23-24)20-10-16(21-18)13-4-6-14(19)7-5-13/h2-10H,11H2,1H3
InChIKeyJMFRERGITRZIIC-UHFFFAOYSA-N
XLogP3.08
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]triazolo[4,5-b]pyrazine?
The IUPAC name of 5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]triazolo[4,5-b]pyrazine (CID 70677399) is 5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]triazolo[4,5-b]pyrazine.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]triazolo[4,5-b]pyrazine?
The canonical SMILES for 5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]triazolo[4,5-b]pyrazine is COc1ccc(Cn2nnc3ncc(-c4ccc(F)cc4)nc32)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]triazolo[4,5-b]pyrazine?
The InChIKey is JMFRERGITRZIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c1-25-15-8-2-12(3-9-15)11-24-18-17(22-23-24)20-10-16(21-18)13-4-6-14(19)7-5-13/h2-10H,11H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]triazolo[4,5-b]pyrazine?
5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]triazolo[4,5-b]pyrazine has a molecular weight of 335.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]triazolo[4,5-b]pyrazine is sourced from PubChem (CID 70677399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).