N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide

C15H21N7O2 — CID 29258649

IUPACN-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
SMILESCCc1nc(NC(=O)Cn2ncc(N3CCCC3)cc2=O)nn1C
InChIInChI=1S/C15H21N7O2/c1-3-12-17-15(19-20(12)2)18-13(23)10-22-14(24)8-11(9-16-22)21-6-4-5-7-21/h8-9H,3-7,10H2,1-2H3,(H,18,19,23)
InChIKeyIMANJGWZGQNTHT-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.17
Rot. Bonds5

About N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide

N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide (PubChem CID 29258649) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
PubChem CID29258649
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC NameN-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
SMILESCCc1nc(NC(=O)Cn2ncc(N3CCCC3)cc2=O)nn1C
InChIInChI=1S/C15H21N7O2/c1-3-12-17-15(19-20(12)2)18-13(23)10-22-14(24)8-11(9-16-22)21-6-4-5-7-21/h8-9H,3-7,10H2,1-2H3,(H,18,19,23)
InChIKeyIMANJGWZGQNTHT-UHFFFAOYSA-N
XLogP0.17
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide (CID 29258649) is N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide is CCc1nc(NC(=O)Cn2ncc(N3CCCC3)cc2=O)nn1C.
What is the InChIKey of N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
The InChIKey is IMANJGWZGQNTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2/c1-3-12-17-15(19-20(12)2)18-13(23)10-22-14(24)8-11(9-16-22)21-6-4-5-7-21/h8-9H,3-7,10H2,1-2H3,(H,18,19,23).
What are the key properties of N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide has a molecular weight of 331.38 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 29258649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).