2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-5-methyl-1,3,4-oxadiazole

C16H12Cl2N6O — CID 90183208

IUPAC2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2nnc3c(-c4ccc(Cl)c(Cl)c4)c(C)nn3c2C)o1
InChIInChI=1S/C16H12Cl2N6O/c1-7-13(10-4-5-11(17)12(18)6-10)15-21-20-14(8(2)24(15)23-7)16-22-19-9(3)25-16/h4-6H,1-3H3
InChIKeyBZWBFCZDWXDCCB-UHFFFAOYSA-N
MW375.22 g/mol
LogP4.07
Rot. Bonds2

About 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-5-methyl-1,3,4-oxadiazole

2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 90183208) has the molecular formula C16H12Cl2N6O and a molecular weight of 375.22 g/mol. Its IUPAC name is 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID90183208
Molecular FormulaC16H12Cl2N6O
Molecular Weight375.22 g/mol
Exact Mass374.04
IUPAC Name2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2nnc3c(-c4ccc(Cl)c(Cl)c4)c(C)nn3c2C)o1
InChIInChI=1S/C16H12Cl2N6O/c1-7-13(10-4-5-11(17)12(18)6-10)15-21-20-14(8(2)24(15)23-7)16-22-19-9(3)25-16/h4-6H,1-3H3
InChIKeyBZWBFCZDWXDCCB-UHFFFAOYSA-N
XLogP4.07
TPSA82.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-5-methyl-1,3,4-oxadiazole (CID 90183208) is 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2nnc3c(-c4ccc(Cl)c(Cl)c4)c(C)nn3c2C)o1.
What is the InChIKey of 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is BZWBFCZDWXDCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N6O/c1-7-13(10-4-5-11(17)12(18)6-10)15-21-20-14(8(2)24(15)23-7)16-22-19-9(3)25-16/h4-6H,1-3H3.
What are the key properties of 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-5-methyl-1,3,4-oxadiazole?
2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 375.22 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 90183208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).