ethane;6-methoxy-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridazine-4-carboxylic acid

C17H28N4O5 — CID 143755940

IUPACethane;6-methoxy-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridazine-4-carboxylic acid
SMILESCC.COc1cc(C(=O)O)c(N2CCN(C(=O)OC(C)(C)C)CC2)nn1
InChIInChI=1S/C15H22N4O5.C2H6/c1-15(2,3)24-14(22)19-7-5-18(6-8-19)12-10(13(20)21)9-11(23-4)16-17-12;1-2/h9H,5-8H2,1-4H3,(H,20,21);1-2H3
InChIKeyORIGFWVRKAGNNT-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.27
Rot. Bonds3

About ethane;6-methoxy-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridazine-4-carboxylic acid

ethane;6-methoxy-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridazine-4-carboxylic acid (PubChem CID 143755940) has the molecular formula C17H28N4O5 and a molecular weight of 368.43 g/mol. Its IUPAC name is ethane;6-methoxy-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Nameethane;6-methoxy-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridazine-4-carboxylic acid
PubChem CID143755940
Molecular FormulaC17H28N4O5
Molecular Weight368.43 g/mol
Exact Mass368.21
IUPAC Nameethane;6-methoxy-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridazine-4-carboxylic acid
SMILESCC.COc1cc(C(=O)O)c(N2CCN(C(=O)OC(C)(C)C)CC2)nn1
InChIInChI=1S/C15H22N4O5.C2H6/c1-15(2,3)24-14(22)19-7-5-18(6-8-19)12-10(13(20)21)9-11(23-4)16-17-12;1-2/h9H,5-8H2,1-4H3,(H,20,21);1-2H3
InChIKeyORIGFWVRKAGNNT-UHFFFAOYSA-N
XLogP2.27
TPSA105.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethane;6-methoxy-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridazine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;6-methoxy-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridazine-4-carboxylic acid?
The IUPAC name of ethane;6-methoxy-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridazine-4-carboxylic acid (CID 143755940) is ethane;6-methoxy-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridazine-4-carboxylic acid.
What is the SMILES notation for ethane;6-methoxy-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridazine-4-carboxylic acid?
The canonical SMILES for ethane;6-methoxy-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridazine-4-carboxylic acid is CC.COc1cc(C(=O)O)c(N2CCN(C(=O)OC(C)(C)C)CC2)nn1.
What is the InChIKey of ethane;6-methoxy-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridazine-4-carboxylic acid?
The InChIKey is ORIGFWVRKAGNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O5.C2H6/c1-15(2,3)24-14(22)19-7-5-18(6-8-19)12-10(13(20)21)9-11(23-4)16-17-12;1-2/h9H,5-8H2,1-4H3,(H,20,21);1-2H3.
What are the key properties of ethane;6-methoxy-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridazine-4-carboxylic acid?
ethane;6-methoxy-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridazine-4-carboxylic acid has a molecular weight of 368.43 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methoxy-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridazine-4-carboxylic acid is sourced from PubChem (CID 143755940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).