5-methyl-3-[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole

C16H10N6OS — CID 18361811

IUPAC5-methyl-3-[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
SMILESCc1cc(-c2nnc3c4ccccc4c(-c4cscn4)nn23)no1
InChIInChI=1S/C16H10N6OS/c1-9-6-12(21-23-9)16-19-18-15-11-5-3-2-4-10(11)14(20-22(15)16)13-7-24-8-17-13/h2-8H,1H3
InChIKeyKNDZABKGRZPWPK-UHFFFAOYSA-N
MW334.36 g/mol
LogP3.36
Rot. Bonds2

About 5-methyl-3-[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole

5-methyl-3-[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole (PubChem CID 18361811) has the molecular formula C16H10N6OS and a molecular weight of 334.36 g/mol. Its IUPAC name is 5-methyl-3-[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
PubChem CID18361811
Molecular FormulaC16H10N6OS
Molecular Weight334.36 g/mol
Exact Mass334.06
IUPAC Name5-methyl-3-[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
SMILESCc1cc(-c2nnc3c4ccccc4c(-c4cscn4)nn23)no1
InChIInChI=1S/C16H10N6OS/c1-9-6-12(21-23-9)16-19-18-15-11-5-3-2-4-10(11)14(20-22(15)16)13-7-24-8-17-13/h2-8H,1H3
InChIKeyKNDZABKGRZPWPK-UHFFFAOYSA-N
XLogP3.36
TPSA82.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole (CID 18361811) is 5-methyl-3-[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole is Cc1cc(-c2nnc3c4ccccc4c(-c4cscn4)nn23)no1.
What is the InChIKey of 5-methyl-3-[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The InChIKey is KNDZABKGRZPWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N6OS/c1-9-6-12(21-23-9)16-19-18-15-11-5-3-2-4-10(11)14(20-22(15)16)13-7-24-8-17-13/h2-8H,1H3.
What are the key properties of 5-methyl-3-[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
5-methyl-3-[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole has a molecular weight of 334.36 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole is sourced from PubChem (CID 18361811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).