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

C20H16FN7OS — CID 18406844

IUPAC2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-7-(2-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine
SMILESCCn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccsc1
InChIInChI=1S/C20H16FN7OS/c1-2-27-17(22-12-24-27)10-29-20-18(13-7-8-30-11-13)16-9-23-25-19(28(16)26-20)14-5-3-4-6-15(14)21/h3-9,11-12H,2,10H2,1H3
InChIKeyQVCRIEVMWHUJCI-UHFFFAOYSA-N
MW421.46 g/mol
LogP3.85
Rot. Bonds6

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

2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-7-(2-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine (PubChem CID 18406844) has the molecular formula C20H16FN7OS and a molecular weight of 421.46 g/mol. Its IUPAC name is 2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-7-(2-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine.

Molecular Properties

Compound Name2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-7-(2-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine
PubChem CID18406844
Molecular FormulaC20H16FN7OS
Molecular Weight421.46 g/mol
Exact Mass421.11
IUPAC Name2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-7-(2-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine
SMILESCCn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccsc1
InChIInChI=1S/C20H16FN7OS/c1-2-27-17(22-12-24-27)10-29-20-18(13-7-8-30-11-13)16-9-23-25-19(28(16)26-20)14-5-3-4-6-15(14)21/h3-9,11-12H,2,10H2,1H3
InChIKeyQVCRIEVMWHUJCI-UHFFFAOYSA-N
XLogP3.85
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-7-(2-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine?
The IUPAC name of 2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-7-(2-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine (CID 18406844) is 2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-7-(2-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine.
What is the SMILES notation for 2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-7-(2-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine?
The canonical SMILES for 2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-7-(2-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine is CCn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccsc1.
What is the InChIKey of 2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-7-(2-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine?
The InChIKey is QVCRIEVMWHUJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN7OS/c1-2-27-17(22-12-24-27)10-29-20-18(13-7-8-30-11-13)16-9-23-25-19(28(16)26-20)14-5-3-4-6-15(14)21/h3-9,11-12H,2,10H2,1H3.
What are the key properties of 2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-7-(2-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine?
2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-7-(2-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine has a molecular weight of 421.46 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-7-(2-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine is sourced from PubChem (CID 18406844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).