N-tert-butyl-2-[4-(6-oxo-1H-pyridazine-3-carbonyl)piperazin-1-yl]acetamide

C15H23N5O3 — CID 30535799

IUPACN-tert-butyl-2-[4-(6-oxo-1H-pyridazine-3-carbonyl)piperazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C15H23N5O3/c1-15(2,3)16-13(22)10-19-6-8-20(9-7-19)14(23)11-4-5-12(21)18-17-11/h4-5H,6-10H2,1-3H3,(H,16,22)(H,18,21)
InChIKeyZMTOPDQCWPJKAG-UHFFFAOYSA-N
MW321.38 g/mol
LogP-0.56
Rot. Bonds3

About N-tert-butyl-2-[4-(6-oxo-1H-pyridazine-3-carbonyl)piperazin-1-yl]acetamide

N-tert-butyl-2-[4-(6-oxo-1H-pyridazine-3-carbonyl)piperazin-1-yl]acetamide (PubChem CID 30535799) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(6-oxo-1H-pyridazine-3-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(6-oxo-1H-pyridazine-3-carbonyl)piperazin-1-yl]acetamide
PubChem CID30535799
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC NameN-tert-butyl-2-[4-(6-oxo-1H-pyridazine-3-carbonyl)piperazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C15H23N5O3/c1-15(2,3)16-13(22)10-19-6-8-20(9-7-19)14(23)11-4-5-12(21)18-17-11/h4-5H,6-10H2,1-3H3,(H,16,22)(H,18,21)
InChIKeyZMTOPDQCWPJKAG-UHFFFAOYSA-N
XLogP-0.56
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(6-oxo-1H-pyridazine-3-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-(6-oxo-1H-pyridazine-3-carbonyl)piperazin-1-yl]acetamide (CID 30535799) is N-tert-butyl-2-[4-(6-oxo-1H-pyridazine-3-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-(6-oxo-1H-pyridazine-3-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-(6-oxo-1H-pyridazine-3-carbonyl)piperazin-1-yl]acetamide is CC(C)(C)NC(=O)CN1CCN(C(=O)c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of N-tert-butyl-2-[4-(6-oxo-1H-pyridazine-3-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is ZMTOPDQCWPJKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-15(2,3)16-13(22)10-19-6-8-20(9-7-19)14(23)11-4-5-12(21)18-17-11/h4-5H,6-10H2,1-3H3,(H,16,22)(H,18,21).
What are the key properties of N-tert-butyl-2-[4-(6-oxo-1H-pyridazine-3-carbonyl)piperazin-1-yl]acetamide?
N-tert-butyl-2-[4-(6-oxo-1H-pyridazine-3-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 321.38 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(6-oxo-1H-pyridazine-3-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 30535799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).