3-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine

C12H11N5O — CID 3070752

IUPAC3-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESCOCc1nnc2nc(-c3ccccc3)cnn12
InChIInChI=1S/C12H11N5O/c1-18-8-11-15-16-12-14-10(7-13-17(11)12)9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyXLFAEOISSVJMES-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.33
Rot. Bonds3

About 3-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine

3-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine (PubChem CID 3070752) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine.

Molecular Properties

Compound Name3-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
PubChem CID3070752
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name3-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESCOCc1nnc2nc(-c3ccccc3)cnn12
InChIInChI=1S/C12H11N5O/c1-18-8-11-15-16-12-14-10(7-13-17(11)12)9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyXLFAEOISSVJMES-UHFFFAOYSA-N
XLogP1.33
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The IUPAC name of 3-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine (CID 3070752) is 3-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine.
What is the SMILES notation for 3-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The canonical SMILES for 3-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine is COCc1nnc2nc(-c3ccccc3)cnn12.
What is the InChIKey of 3-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The InChIKey is XLFAEOISSVJMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-18-8-11-15-16-12-14-10(7-13-17(11)12)9-5-3-2-4-6-9/h2-7H,8H2,1H3.
What are the key properties of 3-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
3-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine has a molecular weight of 241.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine is sourced from PubChem (CID 3070752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).