2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide

C17H25N7O2 — CID 30936360

IUPAC2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCC(C)n1cnnc1CCNC(=O)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C17H25N7O2/c1-13(2)23-12-19-21-15(23)5-6-18-16(25)11-24-17(26)9-14(10-20-24)22-7-3-4-8-22/h9-10,12-13H,3-8,11H2,1-2H3,(H,18,25)
InChIKeyLUNXBOCBTNTDHO-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.37
Rot. Bonds7

About 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide

2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 30936360) has the molecular formula C17H25N7O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID30936360
Molecular FormulaC17H25N7O2
Molecular Weight359.43 g/mol
Exact Mass359.21
IUPAC Name2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCC(C)n1cnnc1CCNC(=O)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C17H25N7O2/c1-13(2)23-12-19-21-15(23)5-6-18-16(25)11-24-17(26)9-14(10-20-24)22-7-3-4-8-22/h9-10,12-13H,3-8,11H2,1-2H3,(H,18,25)
InChIKeyLUNXBOCBTNTDHO-UHFFFAOYSA-N
XLogP0.37
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 30936360) is 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide is CC(C)n1cnnc1CCNC(=O)Cn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is LUNXBOCBTNTDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O2/c1-13(2)23-12-19-21-15(23)5-6-18-16(25)11-24-17(26)9-14(10-20-24)22-7-3-4-8-22/h9-10,12-13H,3-8,11H2,1-2H3,(H,18,25).
What are the key properties of 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 359.43 g/mol, XLogP of 0.37, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 30936360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).