7-methoxy-2-(3-methoxyphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole

C17H15N3O2 — CID 21455291

IUPAC7-methoxy-2-(3-methoxyphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole
SMILESCOc1cccc(-c2nc3n(n2)Cc2cc(OC)ccc2-3)c1
InChIInChI=1S/C17H15N3O2/c1-21-13-5-3-4-11(8-13)16-18-17-15-7-6-14(22-2)9-12(15)10-20(17)19-16/h3-9H,10H2,1-2H3
InChIKeyZKKYSWHRCYRUQX-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.99
Rot. Bonds3

About 7-methoxy-2-(3-methoxyphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole

7-methoxy-2-(3-methoxyphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole (PubChem CID 21455291) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 7-methoxy-2-(3-methoxyphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole.

Molecular Properties

Compound Name7-methoxy-2-(3-methoxyphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole
PubChem CID21455291
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name7-methoxy-2-(3-methoxyphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole
SMILESCOc1cccc(-c2nc3n(n2)Cc2cc(OC)ccc2-3)c1
InChIInChI=1S/C17H15N3O2/c1-21-13-5-3-4-11(8-13)16-18-17-15-7-6-14(22-2)9-12(15)10-20(17)19-16/h3-9H,10H2,1-2H3
InChIKeyZKKYSWHRCYRUQX-UHFFFAOYSA-N
XLogP2.99
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole
CID 18830214
3-[4-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]pyridine
CID 56935430
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
3-(3-methoxyphenyl)-6-[5-(3-methoxyphenyl)-6-methyl-2-pyridinyl]-2-methylpyridine
CID 101485058
2-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 83965261
2-(3-methoxyphenyl)-5-methylpyrimidine
CID 121432653
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
5-(3-methoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole
CID 861082
2,4-bis(3-methoxyphenyl)-6-[4-[4-[4-(3-methoxyphenyl)-6-(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 20652055
8-bromo-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117137616
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(3-methoxyphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole?
The IUPAC name of 7-methoxy-2-(3-methoxyphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole (CID 21455291) is 7-methoxy-2-(3-methoxyphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole.
What is the SMILES notation for 7-methoxy-2-(3-methoxyphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole?
The canonical SMILES for 7-methoxy-2-(3-methoxyphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole is COc1cccc(-c2nc3n(n2)Cc2cc(OC)ccc2-3)c1.
What is the InChIKey of 7-methoxy-2-(3-methoxyphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole?
The InChIKey is ZKKYSWHRCYRUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-21-13-5-3-4-11(8-13)16-18-17-15-7-6-14(22-2)9-12(15)10-20(17)19-16/h3-9H,10H2,1-2H3.
What are the key properties of 7-methoxy-2-(3-methoxyphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole?
7-methoxy-2-(3-methoxyphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole has a molecular weight of 293.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(3-methoxyphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole is sourced from PubChem (CID 21455291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).