2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide

C16H23N5O2 — CID 50954095

IUPAC2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C16H23N5O2/c1-3-5-21(6-4-2)16(23)13-19-7-9-20(10-8-19)14-11-15(22)18-17-12-14/h3-4,11-12H,1-2,5-10,13H2,(H,18,22)
InChIKeyQNWVUOOVLMENJM-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.09
Rot. Bonds7

About 2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide

2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 50954095) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide
PubChem CID50954095
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C16H23N5O2/c1-3-5-21(6-4-2)16(23)13-19-7-9-20(10-8-19)14-11-15(22)18-17-12-14/h3-4,11-12H,1-2,5-10,13H2,(H,18,22)
InChIKeyQNWVUOOVLMENJM-UHFFFAOYSA-N
XLogP0.09
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide (CID 50954095) is 2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CN1CCN(c2cn[nH]c(=O)c2)CC1.
What is the InChIKey of 2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is QNWVUOOVLMENJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-3-5-21(6-4-2)16(23)13-19-7-9-20(10-8-19)14-11-15(22)18-17-12-14/h3-4,11-12H,1-2,5-10,13H2,(H,18,22).
What are the key properties of 2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 0.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 50954095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).