2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazine

C19H15N7OS — CID 18406866

IUPAC2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazine
SMILESCn1ncnc1COc1nn2c(-c3cccs3)nncc2c1-c1ccccc1
InChIInChI=1S/C19H15N7OS/c1-25-16(20-12-22-25)11-27-19-17(13-6-3-2-4-7-13)14-10-21-23-18(26(14)24-19)15-8-5-9-28-15/h2-10,12H,11H2,1H3
InChIKeySBVOTVOGQYZEOU-UHFFFAOYSA-N
MW389.44 g/mol
LogP3.23
Rot. Bonds5

About 2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazine

2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazine (PubChem CID 18406866) has the molecular formula C19H15N7OS and a molecular weight of 389.44 g/mol. Its IUPAC name is 2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazine.

Molecular Properties

Compound Name2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazine
PubChem CID18406866
Molecular FormulaC19H15N7OS
Molecular Weight389.44 g/mol
Exact Mass389.11
IUPAC Name2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazine
SMILESCn1ncnc1COc1nn2c(-c3cccs3)nncc2c1-c1ccccc1
InChIInChI=1S/C19H15N7OS/c1-25-16(20-12-22-25)11-27-19-17(13-6-3-2-4-7-13)14-10-21-23-18(26(14)24-19)15-8-5-9-28-15/h2-10,12H,11H2,1H3
InChIKeySBVOTVOGQYZEOU-UHFFFAOYSA-N
XLogP3.23
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-phenylpyrazolo[1,5-d][1,2,4]triazine
CID 9865768
3,7-bis(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 9888315
7-(2-fluorophenyl)-3-(3-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 9909977
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-(thiophen-3-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 16006944
7-(2-Fluorophenyl)-2-(2-methyl-2H-[1,2,4]triazol-3-ylmethoxy)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazine
CID 18406840
3-(2,6-difluorophenyl)-7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406861
3-(2-fluorophenyl)-7-(4-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406877
3-(2,5-difluorophenyl)-7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406904
7-(2,6-Difluorophenyl)-3-(2-fluorophenyl)-2-(2-methyl-2H-[1,2,4]triazol-3-ylmethoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406905
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-(thiophen-2-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 18406916
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-(pyridin-3-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 18406917
7-cyclopropyl-3-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406937

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazine?
The IUPAC name of 2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazine (CID 18406866) is 2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazine.
What is the SMILES notation for 2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazine?
The canonical SMILES for 2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazine is Cn1ncnc1COc1nn2c(-c3cccs3)nncc2c1-c1ccccc1.
What is the InChIKey of 2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazine?
The InChIKey is SBVOTVOGQYZEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7OS/c1-25-16(20-12-22-25)11-27-19-17(13-6-3-2-4-7-13)14-10-21-23-18(26(14)24-19)15-8-5-9-28-15/h2-10,12H,11H2,1H3.
What are the key properties of 2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazine?
2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazine has a molecular weight of 389.44 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazine is sourced from PubChem (CID 18406866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).