2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide

C13H20N6O — CID 71922699

IUPAC2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCCc1nc(CC)n(CC(=O)Nc2cc(C)nn2C)n1
InChIInChI=1S/C13H20N6O/c1-5-10-14-11(6-2)19(17-10)8-13(20)15-12-7-9(3)16-18(12)4/h7H,5-6,8H2,1-4H3,(H,15,20)
InChIKeyOOFRNRCXKVTFHZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.08
Rot. Bonds5

About 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide

2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 71922699) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID71922699
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCCc1nc(CC)n(CC(=O)Nc2cc(C)nn2C)n1
InChIInChI=1S/C13H20N6O/c1-5-10-14-11(6-2)19(17-10)8-13(20)15-12-7-9(3)16-18(12)4/h7H,5-6,8H2,1-4H3,(H,15,20)
InChIKeyOOFRNRCXKVTFHZ-UHFFFAOYSA-N
XLogP1.08
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 71922699) is 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide is CCc1nc(CC)n(CC(=O)Nc2cc(C)nn2C)n1.
What is the InChIKey of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is OOFRNRCXKVTFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-5-10-14-11(6-2)19(17-10)8-13(20)15-12-7-9(3)16-18(12)4/h7H,5-6,8H2,1-4H3,(H,15,20).
What are the key properties of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 276.34 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 71922699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).