4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-1-carboxylic acid

C16H18N4O3 — CID 137045885

IUPAC4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-1-carboxylic acid
SMILESNc1nnc(-c2ccccc2O)cc1C1CCN(C(=O)O)CC1
InChIInChI=1S/C16H18N4O3/c17-15-12(10-5-7-20(8-6-10)16(22)23)9-13(18-19-15)11-3-1-2-4-14(11)21/h1-4,9-10,21H,5-8H2,(H2,17,19)(H,22,23)
InChIKeySGTGAQVUUSIRJG-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.29
Rot. Bonds2

About 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-1-carboxylic acid

4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-1-carboxylic acid (PubChem CID 137045885) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-1-carboxylic acid
PubChem CID137045885
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-1-carboxylic acid
SMILESNc1nnc(-c2ccccc2O)cc1C1CCN(C(=O)O)CC1
InChIInChI=1S/C16H18N4O3/c17-15-12(10-5-7-20(8-6-10)16(22)23)9-13(18-19-15)11-3-1-2-4-14(11)21/h1-4,9-10,21H,5-8H2,(H2,17,19)(H,22,23)
InChIKeySGTGAQVUUSIRJG-UHFFFAOYSA-N
XLogP2.29
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-amino-5-(1-benzylpiperidin-4-yl)pyridazin-3-yl]phenol;2,2,2-trifluoroacetic acid
CID 137045898
1-[(1S,5R)-3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanone
CID 137277893
2-[6-amino-5-(1-benzylpiperidin-4-yl)pyridazin-3-yl]phenol;2-(6-amino-5-piperidin-4-ylpyridazin-3-yl)phenol;2,2,2-trifluoroacetic acid;dihydrochloride
CID 174057899
1-[4-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-5-yl]piperidin-1-yl]ethanone
CID 163374374
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone;ethane
CID 160949822
tert-butyl 4-[3-amino-6-(1H-pyrazol-5-yl)pyridazin-4-yl]piperidine-1-carboxylate
CID 155390752
4-[6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylic acid
CID 166643388
2-[6-amino-5-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenol
CID 152825660
4-(5-chloro-2-hydroxyphenyl)piperidine-1-carboxylic acid
CID 66905730
1-[2-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyrimidine-5-carbonyl]piperidine-4-carboxylic acid
CID 155391015
2-(6-amino-5-methylpyridazin-3-yl)phenol
CID 145145780
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 169079538

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-1-carboxylic acid (CID 137045885) is 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-1-carboxylic acid is Nc1nnc(-c2ccccc2O)cc1C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-1-carboxylic acid?
The InChIKey is SGTGAQVUUSIRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c17-15-12(10-5-7-20(8-6-10)16(22)23)9-13(18-19-15)11-3-1-2-4-14(11)21/h1-4,9-10,21H,5-8H2,(H2,17,19)(H,22,23).
What are the key properties of 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-1-carboxylic acid?
4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-1-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 2.29, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 137045885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).