2-[4-[4-(pyridazin-4-ylamino)piperazin-1-yl]cyclohexyl]acetic acid

C16H25N5O2 — CID 19068113

IUPAC2-[4-[4-(pyridazin-4-ylamino)piperazin-1-yl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(N2CCN(Nc3ccnnc3)CC2)CC1
InChIInChI=1S/C16H25N5O2/c22-16(23)11-13-1-3-15(4-2-13)20-7-9-21(10-8-20)19-14-5-6-17-18-12-14/h5-6,12-13,15H,1-4,7-11H2,(H,17,19)(H,22,23)
InChIKeyOCGYQMFFTSUXJW-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.45
Rot. Bonds5

About 2-[4-[4-(pyridazin-4-ylamino)piperazin-1-yl]cyclohexyl]acetic acid

2-[4-[4-(pyridazin-4-ylamino)piperazin-1-yl]cyclohexyl]acetic acid (PubChem CID 19068113) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[4-[4-(pyridazin-4-ylamino)piperazin-1-yl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(pyridazin-4-ylamino)piperazin-1-yl]cyclohexyl]acetic acid
PubChem CID19068113
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name2-[4-[4-(pyridazin-4-ylamino)piperazin-1-yl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(N2CCN(Nc3ccnnc3)CC2)CC1
InChIInChI=1S/C16H25N5O2/c22-16(23)11-13-1-3-15(4-2-13)20-7-9-21(10-8-20)19-14-5-6-17-18-12-14/h5-6,12-13,15H,1-4,7-11H2,(H,17,19)(H,22,23)
InChIKeyOCGYQMFFTSUXJW-UHFFFAOYSA-N
XLogP1.45
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[4-[2-(Pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid
CID 19068083
2-[1-Hydroxy-4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid
CID 19068101
2-[4-[4-[4-(Pyridazin-4-ylamino)butyl]piperazin-1-yl]cyclohexyl]acetic acid
CID 19068122
2-[4-[1-(Pyridazin-4-ylamino)piperidin-4-yl]cyclohexyl]acetic acid
CID 19068125
2-[4-[4-[2-(Pyridazin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid
CID 19068127
2-[4-[4-Ethyl-2-(pyridazin-4-ylamino)piperidin-1-yl]-1-hydroxycyclohexyl]acetic acid
CID 67640914
2-[4-(4-Pyridazin-4-ylpiperazine-1-carbonyl)cyclohexyl]acetic acid
CID 70189736
2-[4-[2-Oxo-2-(4-pyridazin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetic acid
CID 70189743
2-[4-[3-Oxo-3-(4-pyridazin-4-ylpiperazin-1-yl)propyl]cyclohexyl]acetic acid
CID 70190444
2-[4-[(4-Pyridazin-4-ylpiperazin-1-yl)methyl]cyclohexyl]acetic acid
CID 70190541
2-(Butylsulfamoyl)-2-[1-hydroxy-4-[4-(pyridazin-4-ylamino)piperazin-1-yl]cyclohexyl]acetic acid
CID 140391832
2-[4-(1-Pyridazin-4-ylpiperidin-1-ium-1-yl)cyclohexyl]acetic acid
CID 19068135

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(pyridazin-4-ylamino)piperazin-1-yl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[4-(pyridazin-4-ylamino)piperazin-1-yl]cyclohexyl]acetic acid (CID 19068113) is 2-[4-[4-(pyridazin-4-ylamino)piperazin-1-yl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[4-(pyridazin-4-ylamino)piperazin-1-yl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[4-(pyridazin-4-ylamino)piperazin-1-yl]cyclohexyl]acetic acid is O=C(O)CC1CCC(N2CCN(Nc3ccnnc3)CC2)CC1.
What is the InChIKey of 2-[4-[4-(pyridazin-4-ylamino)piperazin-1-yl]cyclohexyl]acetic acid?
The InChIKey is OCGYQMFFTSUXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c22-16(23)11-13-1-3-15(4-2-13)20-7-9-21(10-8-20)19-14-5-6-17-18-12-14/h5-6,12-13,15H,1-4,7-11H2,(H,17,19)(H,22,23).
What are the key properties of 2-[4-[4-(pyridazin-4-ylamino)piperazin-1-yl]cyclohexyl]acetic acid?
2-[4-[4-(pyridazin-4-ylamino)piperazin-1-yl]cyclohexyl]acetic acid has a molecular weight of 319.41 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(pyridazin-4-ylamino)piperazin-1-yl]cyclohexyl]acetic acid is sourced from PubChem (CID 19068113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).