3-(2-chlorophenyl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole

C11H9ClN4 — CID 2729930

IUPAC3-(2-chlorophenyl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole
SMILESCc1cc2nnc(-c3ccccc3Cl)n2[nH]1
InChIInChI=1S/C11H9ClN4/c1-7-6-10-13-14-11(16(10)15-7)8-4-2-3-5-9(8)12/h2-6,15H,1H3
InChIKeyQBQQGUIRYOIMRI-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.69
Rot. Bonds1

About 3-(2-chlorophenyl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole

3-(2-chlorophenyl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole (PubChem CID 2729930) has the molecular formula C11H9ClN4 and a molecular weight of 232.67 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole
PubChem CID2729930
Molecular FormulaC11H9ClN4
Molecular Weight232.67 g/mol
Exact Mass232.05
IUPAC Name3-(2-chlorophenyl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole
SMILESCc1cc2nnc(-c3ccccc3Cl)n2[nH]1
InChIInChI=1S/C11H9ClN4/c1-7-6-10-13-14-11(16(10)15-7)8-4-2-3-5-9(8)12/h2-6,15H,1H3
InChIKeyQBQQGUIRYOIMRI-UHFFFAOYSA-N
XLogP2.69
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole?
The IUPAC name of 3-(2-chlorophenyl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole (CID 2729930) is 3-(2-chlorophenyl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole.
What is the SMILES notation for 3-(2-chlorophenyl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole?
The canonical SMILES for 3-(2-chlorophenyl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole is Cc1cc2nnc(-c3ccccc3Cl)n2[nH]1.
What is the InChIKey of 3-(2-chlorophenyl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole?
The InChIKey is QBQQGUIRYOIMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4/c1-7-6-10-13-14-11(16(10)15-7)8-4-2-3-5-9(8)12/h2-6,15H,1H3.
What are the key properties of 3-(2-chlorophenyl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole?
3-(2-chlorophenyl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole has a molecular weight of 232.67 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole is sourced from PubChem (CID 2729930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).