2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid

C16H18N4O2 — CID 82167521

IUPAC2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C16H18N4O2/c21-16(22)12-19-8-10-20(11-9-19)15-7-6-14(17-18-15)13-4-2-1-3-5-13/h1-7H,8-12H2,(H,21,22)
InChIKeyACBGYYDZZBKZRA-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.35
Rot. Bonds4

About 2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid

2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid (PubChem CID 82167521) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid
PubChem CID82167521
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C16H18N4O2/c21-16(22)12-19-8-10-20(11-9-19)15-7-6-14(17-18-15)13-4-2-1-3-5-13/h1-7H,8-12H2,(H,21,22)
InChIKeyACBGYYDZZBKZRA-UHFFFAOYSA-N
XLogP1.35
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 42110640
2-[2-(6-phenylpyridazin-3-yl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]acetic acid
CID 146043716
N-[2-[cyclobutyl(methyl)amino]ethyl]-N-ethyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetamide
CID 70827383
2-[4-(2-ethyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 56768591
1-(6-phenylpyridazin-3-yl)piperidin-4-ol
CID 3022103
(4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30866604
1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 116972743
2-methyl-5-[[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 139027435
3-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyridazine
CID 29134956
2-(1-adamantyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 108753633
2-phenyl-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121058240
1-(4-chlorophenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butane-1,4-dione
CID 108730014

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid (CID 82167521) is 2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid is O=C(O)CN1CCN(c2ccc(-c3ccccc3)nn2)CC1.
What is the InChIKey of 2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid?
The InChIKey is ACBGYYDZZBKZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-16(22)12-19-8-10-20(11-9-19)15-7-6-14(17-18-15)13-4-2-1-3-5-13/h1-7H,8-12H2,(H,21,22).
What are the key properties of 2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid?
2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid has a molecular weight of 298.35 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 82167521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).