3-[6-(4-methoxyphenyl)-3-methyl-1,2,4-triazin-5-yl]-1H-indole

C19H16N4O — CID 6405233

IUPAC3-[6-(4-methoxyphenyl)-3-methyl-1,2,4-triazin-5-yl]-1H-indole
SMILESCOc1ccc(-c2nnc(C)nc2-c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H16N4O/c1-12-21-19(16-11-20-17-6-4-3-5-15(16)17)18(23-22-12)13-7-9-14(24-2)10-8-13/h3-11,20H,1-2H3
InChIKeyQDHNCVZQVYGRMD-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.00
Rot. Bonds3

About 3-[6-(4-methoxyphenyl)-3-methyl-1,2,4-triazin-5-yl]-1H-indole

3-[6-(4-methoxyphenyl)-3-methyl-1,2,4-triazin-5-yl]-1H-indole (PubChem CID 6405233) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[6-(4-methoxyphenyl)-3-methyl-1,2,4-triazin-5-yl]-1H-indole.

Molecular Properties

Compound Name3-[6-(4-methoxyphenyl)-3-methyl-1,2,4-triazin-5-yl]-1H-indole
PubChem CID6405233
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name3-[6-(4-methoxyphenyl)-3-methyl-1,2,4-triazin-5-yl]-1H-indole
SMILESCOc1ccc(-c2nnc(C)nc2-c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H16N4O/c1-12-21-19(16-11-20-17-6-4-3-5-15(16)17)18(23-22-12)13-7-9-14(24-2)10-8-13/h3-11,20H,1-2H3
InChIKeyQDHNCVZQVYGRMD-UHFFFAOYSA-N
XLogP4.00
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methoxyphenyl)-3-methyl-1,2,4-triazin-5-yl]-1H-indole?
The IUPAC name of 3-[6-(4-methoxyphenyl)-3-methyl-1,2,4-triazin-5-yl]-1H-indole (CID 6405233) is 3-[6-(4-methoxyphenyl)-3-methyl-1,2,4-triazin-5-yl]-1H-indole.
What is the SMILES notation for 3-[6-(4-methoxyphenyl)-3-methyl-1,2,4-triazin-5-yl]-1H-indole?
The canonical SMILES for 3-[6-(4-methoxyphenyl)-3-methyl-1,2,4-triazin-5-yl]-1H-indole is COc1ccc(-c2nnc(C)nc2-c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[6-(4-methoxyphenyl)-3-methyl-1,2,4-triazin-5-yl]-1H-indole?
The InChIKey is QDHNCVZQVYGRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-12-21-19(16-11-20-17-6-4-3-5-15(16)17)18(23-22-12)13-7-9-14(24-2)10-8-13/h3-11,20H,1-2H3.
What are the key properties of 3-[6-(4-methoxyphenyl)-3-methyl-1,2,4-triazin-5-yl]-1H-indole?
3-[6-(4-methoxyphenyl)-3-methyl-1,2,4-triazin-5-yl]-1H-indole has a molecular weight of 316.36 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methoxyphenyl)-3-methyl-1,2,4-triazin-5-yl]-1H-indole is sourced from PubChem (CID 6405233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).