6-(4-methoxyphenyl)-3-phenylthieno[2,3-e][1,2,4]triazine

C18H13N3OS — CID 6401148

IUPAC6-(4-methoxyphenyl)-3-phenylthieno[2,3-e][1,2,4]triazine
SMILESCOc1ccc(-c2cc3nnc(-c4ccccc4)nc3s2)cc1
InChIInChI=1S/C18H13N3OS/c1-22-14-9-7-12(8-10-14)16-11-15-18(23-16)19-17(21-20-15)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyNCPMGOXPOHLXNY-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.43
Rot. Bonds3

About 6-(4-methoxyphenyl)-3-phenylthieno[2,3-e][1,2,4]triazine

6-(4-methoxyphenyl)-3-phenylthieno[2,3-e][1,2,4]triazine (PubChem CID 6401148) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-phenylthieno[2,3-e][1,2,4]triazine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-phenylthieno[2,3-e][1,2,4]triazine
PubChem CID6401148
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC Name6-(4-methoxyphenyl)-3-phenylthieno[2,3-e][1,2,4]triazine
SMILESCOc1ccc(-c2cc3nnc(-c4ccccc4)nc3s2)cc1
InChIInChI=1S/C18H13N3OS/c1-22-14-9-7-12(8-10-14)16-11-15-18(23-16)19-17(21-20-15)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyNCPMGOXPOHLXNY-UHFFFAOYSA-N
XLogP4.43
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-phenylthieno[2,3-e][1,2,4]triazine?
The IUPAC name of 6-(4-methoxyphenyl)-3-phenylthieno[2,3-e][1,2,4]triazine (CID 6401148) is 6-(4-methoxyphenyl)-3-phenylthieno[2,3-e][1,2,4]triazine.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-phenylthieno[2,3-e][1,2,4]triazine?
The canonical SMILES for 6-(4-methoxyphenyl)-3-phenylthieno[2,3-e][1,2,4]triazine is COc1ccc(-c2cc3nnc(-c4ccccc4)nc3s2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-phenylthieno[2,3-e][1,2,4]triazine?
The InChIKey is NCPMGOXPOHLXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS/c1-22-14-9-7-12(8-10-14)16-11-15-18(23-16)19-17(21-20-15)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 6-(4-methoxyphenyl)-3-phenylthieno[2,3-e][1,2,4]triazine?
6-(4-methoxyphenyl)-3-phenylthieno[2,3-e][1,2,4]triazine has a molecular weight of 319.39 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-phenylthieno[2,3-e][1,2,4]triazine is sourced from PubChem (CID 6401148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).