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

C15H21N7O2 — CID 45215701

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
SMILESCC(NC(=O)Cn1ncc(N2CCCC2)cc1=O)c1nncn1C
InChIInChI=1S/C15H21N7O2/c1-11(15-19-16-10-20(15)2)18-13(23)9-22-14(24)7-12(8-17-22)21-5-3-4-6-21/h7-8,10-11H,3-6,9H2,1-2H3,(H,18,23)
InChIKeyUIIQUNNKPJWWKV-UHFFFAOYSA-N
MW331.38 g/mol
LogP-0.15
Rot. Bonds5

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

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide (PubChem CID 45215701) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
PubChem CID45215701
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
SMILESCC(NC(=O)Cn1ncc(N2CCCC2)cc1=O)c1nncn1C
InChIInChI=1S/C15H21N7O2/c1-11(15-19-16-10-20(15)2)18-13(23)9-22-14(24)7-12(8-17-22)21-5-3-4-6-21/h7-8,10-11H,3-6,9H2,1-2H3,(H,18,23)
InChIKeyUIIQUNNKPJWWKV-UHFFFAOYSA-N
XLogP-0.15
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 ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide (CID 45215701) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide is CC(NC(=O)Cn1ncc(N2CCCC2)cc1=O)c1nncn1C.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
The InChIKey is UIIQUNNKPJWWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2/c1-11(15-19-16-10-20(15)2)18-13(23)9-22-14(24)7-12(8-17-22)21-5-3-4-6-21/h7-8,10-11H,3-6,9H2,1-2H3,(H,18,23).
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide has a molecular weight of 331.38 g/mol, XLogP of -0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 45215701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).