6-(1,4-oxazepan-4-yl)pyridazine-3-carboxylic acid

C10H13N3O3 — CID 62973875

IUPAC6-(1,4-oxazepan-4-yl)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCCOCC2)nn1
InChIInChI=1S/C10H13N3O3/c14-10(15)8-2-3-9(12-11-8)13-4-1-6-16-7-5-13/h2-3H,1,4-7H2,(H,14,15)
InChIKeyDZWNJRDROXJILC-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.40
Rot. Bonds2

About 6-(1,4-oxazepan-4-yl)pyridazine-3-carboxylic acid

6-(1,4-oxazepan-4-yl)pyridazine-3-carboxylic acid (PubChem CID 62973875) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 6-(1,4-oxazepan-4-yl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1,4-oxazepan-4-yl)pyridazine-3-carboxylic acid
PubChem CID62973875
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name6-(1,4-oxazepan-4-yl)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCCOCC2)nn1
InChIInChI=1S/C10H13N3O3/c14-10(15)8-2-3-9(12-11-8)13-4-1-6-16-7-5-13/h2-3H,1,4-7H2,(H,14,15)
InChIKeyDZWNJRDROXJILC-UHFFFAOYSA-N
XLogP0.40
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139
6-morpholin-4-yl-N-propan-2-ylpyridazine-3-carboxamide
CID 109109608
6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518
N-(4-chlorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114542
6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109114472
N-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 121028153
N-(2,6-difluorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114612
N-(4-carbamoylphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 121028121
5-(1,4-oxazepan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 146599734
6-(4-aminopiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61402767
6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61435325

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-oxazepan-4-yl)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(1,4-oxazepan-4-yl)pyridazine-3-carboxylic acid (CID 62973875) is 6-(1,4-oxazepan-4-yl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(1,4-oxazepan-4-yl)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(1,4-oxazepan-4-yl)pyridazine-3-carboxylic acid is O=C(O)c1ccc(N2CCCOCC2)nn1.
What is the InChIKey of 6-(1,4-oxazepan-4-yl)pyridazine-3-carboxylic acid?
The InChIKey is DZWNJRDROXJILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-10(15)8-2-3-9(12-11-8)13-4-1-6-16-7-5-13/h2-3H,1,4-7H2,(H,14,15).
What are the key properties of 6-(1,4-oxazepan-4-yl)pyridazine-3-carboxylic acid?
6-(1,4-oxazepan-4-yl)pyridazine-3-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-oxazepan-4-yl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 62973875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).