6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine

C18H14FN5O — CID 70677253

IUPAC6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESCOc1ccc(Cc2nnc3ncc(-c4ccc(F)cc4)nn23)cc1
InChIInChI=1S/C18H14FN5O/c1-25-15-8-2-12(3-9-15)10-17-21-22-18-20-11-16(23-24(17)18)13-4-6-14(19)7-5-13/h2-9,11H,10H2,1H3
InChIKeySNSVJKJUAALDJX-UHFFFAOYSA-N
MW335.34 g/mol
LogP2.92
Rot. Bonds4

About 6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine

6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine (PubChem CID 70677253) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine
PubChem CID70677253
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESCOc1ccc(Cc2nnc3ncc(-c4ccc(F)cc4)nn23)cc1
InChIInChI=1S/C18H14FN5O/c1-25-15-8-2-12(3-9-15)10-17-21-22-18-20-11-16(23-24(17)18)13-4-6-14(19)7-5-13/h2-9,11H,10H2,1H3
InChIKeySNSVJKJUAALDJX-UHFFFAOYSA-N
XLogP2.92
TPSA65.20 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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine with MolForge

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Related Compounds

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CID 6539412
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CID 11324689
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CID 54577892
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CID 57402936
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CID 57402938
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CID 68181996
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CID 134179384
CID 134179384

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The IUPAC name of 6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine (CID 70677253) is 6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine.
What is the SMILES notation for 6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The canonical SMILES for 6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine is COc1ccc(Cc2nnc3ncc(-c4ccc(F)cc4)nn23)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The InChIKey is SNSVJKJUAALDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c1-25-15-8-2-12(3-9-15)10-17-21-22-18-20-11-16(23-24(17)18)13-4-6-14(19)7-5-13/h2-9,11H,10H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine has a molecular weight of 335.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine is sourced from PubChem (CID 70677253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).