2-[4-[5-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid

C16H17ClN4O2 — CID 129074866

IUPAC2-[4-[5-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(c2cc(-c3ccc(Cl)cc3)cnn2)CC1
InChIInChI=1S/C16H17ClN4O2/c17-14-3-1-12(2-4-14)13-9-15(19-18-10-13)21-7-5-20(6-8-21)11-16(22)23/h1-4,9-10H,5-8,11H2,(H,22,23)
InChIKeyQTQINIRFYOGTCZ-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.00
Rot. Bonds4

About 2-[4-[5-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid

2-[4-[5-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid (PubChem CID 129074866) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-[4-[5-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[5-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid
PubChem CID129074866
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name2-[4-[5-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(c2cc(-c3ccc(Cl)cc3)cnn2)CC1
InChIInChI=1S/C16H17ClN4O2/c17-14-3-1-12(2-4-14)13-9-15(19-18-10-13)21-7-5-20(6-8-21)11-16(22)23/h1-4,9-10H,5-8,11H2,(H,22,23)
InChIKeyQTQINIRFYOGTCZ-UHFFFAOYSA-N
XLogP2.00
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[5-(2,6-difluorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid
CID 129075167
2-[4-[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]acetic acid
CID 56768572
2-[4-(5-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 129074862
2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid
CID 82167521
2-[4-(6-chloropyrazin-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 114335407
2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetic acid
CID 66329032
2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
CID 43521668
N-(5-chloro-2-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146893
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide
CID 37406520
2-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]acetic acid
CID 82166158
2-[4-[6-ethyl-2-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid
CID 56768570
2-[4-(2-ethyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 56768591

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[5-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid (CID 129074866) is 2-[4-[5-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[5-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[5-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(c2cc(-c3ccc(Cl)cc3)cnn2)CC1.
What is the InChIKey of 2-[4-[5-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid?
The InChIKey is QTQINIRFYOGTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-14-3-1-12(2-4-14)13-9-15(19-18-10-13)21-7-5-20(6-8-21)11-16(22)23/h1-4,9-10H,5-8,11H2,(H,22,23).
What are the key properties of 2-[4-[5-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid?
2-[4-[5-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid has a molecular weight of 332.79 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 129074866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).