7-(2-chlorophenyl)-3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine

C21H15ClFN7O — CID 18406869

IUPAC7-(2-chlorophenyl)-3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine
SMILESCn1ncnc1COc1nn2c(-c3ccccc3Cl)nncc2c1-c1ccccc1F
InChIInChI=1S/C21H15ClFN7O/c1-29-18(24-12-26-29)11-31-21-19(14-7-3-5-9-16(14)23)17-10-25-27-20(30(17)28-21)13-6-2-4-8-15(13)22/h2-10,12H,11H2,1H3
InChIKeySTGQCZPVHDLHAH-UHFFFAOYSA-N
MW435.85 g/mol
LogP3.96
Rot. Bonds5

About 7-(2-chlorophenyl)-3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine

7-(2-chlorophenyl)-3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine (PubChem CID 18406869) has the molecular formula C21H15ClFN7O and a molecular weight of 435.85 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine.

Molecular Properties

Compound Name7-(2-chlorophenyl)-3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine
PubChem CID18406869
Molecular FormulaC21H15ClFN7O
Molecular Weight435.85 g/mol
Exact Mass435.10
IUPAC Name7-(2-chlorophenyl)-3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine
SMILESCn1ncnc1COc1nn2c(-c3ccccc3Cl)nncc2c1-c1ccccc1F
InChIInChI=1S/C21H15ClFN7O/c1-29-18(24-12-26-29)11-31-21-19(14-7-3-5-9-16(14)23)17-10-25-27-20(30(17)28-21)13-6-2-4-8-15(13)22/h2-10,12H,11H2,1H3
InChIKeySTGQCZPVHDLHAH-UHFFFAOYSA-N
XLogP3.96
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.85
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine?
The IUPAC name of 7-(2-chlorophenyl)-3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine (CID 18406869) is 7-(2-chlorophenyl)-3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine.
What is the SMILES notation for 7-(2-chlorophenyl)-3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine?
The canonical SMILES for 7-(2-chlorophenyl)-3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine is Cn1ncnc1COc1nn2c(-c3ccccc3Cl)nncc2c1-c1ccccc1F.
What is the InChIKey of 7-(2-chlorophenyl)-3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine?
The InChIKey is STGQCZPVHDLHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN7O/c1-29-18(24-12-26-29)11-31-21-19(14-7-3-5-9-16(14)23)17-10-25-27-20(30(17)28-21)13-6-2-4-8-15(13)22/h2-10,12H,11H2,1H3.
What are the key properties of 7-(2-chlorophenyl)-3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine?
7-(2-chlorophenyl)-3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine has a molecular weight of 435.85 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine is sourced from PubChem (CID 18406869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).