4-[4-(4-methyl-2-oxopiperazin-1-yl)anilino]pyridazine-3-carboxylic acid

C16H17N5O3 — CID 175721122

IUPAC4-[4-(4-methyl-2-oxopiperazin-1-yl)anilino]pyridazine-3-carboxylic acid
SMILESCN1CCN(c2ccc(Nc3ccnnc3C(=O)O)cc2)C(=O)C1
InChIInChI=1S/C16H17N5O3/c1-20-8-9-21(14(22)10-20)12-4-2-11(3-5-12)18-13-6-7-17-19-15(13)16(23)24/h2-7H,8-10H2,1H3,(H,17,18)(H,23,24)
InChIKeyWOZJOWHJQJLVSX-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.20
Rot. Bonds4

About 4-[4-(4-methyl-2-oxopiperazin-1-yl)anilino]pyridazine-3-carboxylic acid

4-[4-(4-methyl-2-oxopiperazin-1-yl)anilino]pyridazine-3-carboxylic acid (PubChem CID 175721122) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 4-[4-(4-methyl-2-oxopiperazin-1-yl)anilino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-(4-methyl-2-oxopiperazin-1-yl)anilino]pyridazine-3-carboxylic acid
PubChem CID175721122
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name4-[4-(4-methyl-2-oxopiperazin-1-yl)anilino]pyridazine-3-carboxylic acid
SMILESCN1CCN(c2ccc(Nc3ccnnc3C(=O)O)cc2)C(=O)C1
InChIInChI=1S/C16H17N5O3/c1-20-8-9-21(14(22)10-20)12-4-2-11(3-5-12)18-13-6-7-17-19-15(13)16(23)24/h2-7H,8-10H2,1H3,(H,17,18)(H,23,24)
InChIKeyWOZJOWHJQJLVSX-UHFFFAOYSA-N
XLogP1.20
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,6-difluorophenyl)-4-[4-(4-methyl-2-oxopiperazin-1-yl)anilino]pyridazine-3-carboxamide
CID 163811469
6-chloro-4-[4-(4-cyclopropyl-2-oxopiperazin-1-yl)anilino]pyridazine-3-carboxylic acid
CID 175721146
4-[[(2S)-2-amino-3-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]propanoyl]amino]benzoic acid
CID 163394557
2,2-dimethyl-3-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]propanoic acid
CID 117469217
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide
CID 58614668
1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-4-methylpiperazin-2-one
CID 117436386
1-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-4-methylpiperazin-2-one
CID 117431151
ethane;[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]methyl hypofluorite
CID 153379478
1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazin-2-one
CID 134595424
2-amino-3-[3-(4-methyl-2-oxopiperazin-1-yl)phenyl]propanamide
CID 175395530
N-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide
CID 143201220
5-bromo-3-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide
CID 70497264

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methyl-2-oxopiperazin-1-yl)anilino]pyridazine-3-carboxylic acid?
The IUPAC name of 4-[4-(4-methyl-2-oxopiperazin-1-yl)anilino]pyridazine-3-carboxylic acid (CID 175721122) is 4-[4-(4-methyl-2-oxopiperazin-1-yl)anilino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 4-[4-(4-methyl-2-oxopiperazin-1-yl)anilino]pyridazine-3-carboxylic acid?
The canonical SMILES for 4-[4-(4-methyl-2-oxopiperazin-1-yl)anilino]pyridazine-3-carboxylic acid is CN1CCN(c2ccc(Nc3ccnnc3C(=O)O)cc2)C(=O)C1.
What is the InChIKey of 4-[4-(4-methyl-2-oxopiperazin-1-yl)anilino]pyridazine-3-carboxylic acid?
The InChIKey is WOZJOWHJQJLVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-20-8-9-21(14(22)10-20)12-4-2-11(3-5-12)18-13-6-7-17-19-15(13)16(23)24/h2-7H,8-10H2,1H3,(H,17,18)(H,23,24).
What are the key properties of 4-[4-(4-methyl-2-oxopiperazin-1-yl)anilino]pyridazine-3-carboxylic acid?
4-[4-(4-methyl-2-oxopiperazin-1-yl)anilino]pyridazine-3-carboxylic acid has a molecular weight of 327.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methyl-2-oxopiperazin-1-yl)anilino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 175721122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).