1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-yl]indole

C20H20N4O3 — CID 11566756

IUPAC1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-yl]indole
SMILESCOc1cc(-c2nncn2-c2ccc3c(ccn3C)c2)cc(OC)c1OC
InChIInChI=1S/C20H20N4O3/c1-23-8-7-13-9-15(5-6-16(13)23)24-12-21-22-20(24)14-10-17(25-2)19(27-4)18(11-14)26-3/h5-12H,1-4H3
InChIKeyTXHKYLOYOGMNFE-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.45
Rot. Bonds5

About 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-yl]indole

1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-yl]indole (PubChem CID 11566756) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-yl]indole.

Molecular Properties

Compound Name1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-yl]indole
PubChem CID11566756
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-yl]indole
SMILESCOc1cc(-c2nncn2-c2ccc3c(ccn3C)c2)cc(OC)c1OC
InChIInChI=1S/C20H20N4O3/c1-23-8-7-13-9-15(5-6-16(13)23)24-12-21-22-20(24)14-10-17(25-2)19(27-4)18(11-14)26-3/h5-12H,1-4H3
InChIKeyTXHKYLOYOGMNFE-UHFFFAOYSA-N
XLogP3.45
TPSA63.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-yl]indole?
The IUPAC name of 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-yl]indole (CID 11566756) is 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-yl]indole.
What is the SMILES notation for 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-yl]indole?
The canonical SMILES for 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-yl]indole is COc1cc(-c2nncn2-c2ccc3c(ccn3C)c2)cc(OC)c1OC.
What is the InChIKey of 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-yl]indole?
The InChIKey is TXHKYLOYOGMNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-23-8-7-13-9-15(5-6-16(13)23)24-12-21-22-20(24)14-10-17(25-2)19(27-4)18(11-14)26-3/h5-12H,1-4H3.
What are the key properties of 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-yl]indole?
1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-yl]indole has a molecular weight of 364.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-yl]indole is sourced from PubChem (CID 11566756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).