5-amino-2-[2-(2-hydroxyethoxy)ethyl]pyridazin-3-one

C8H13N3O3 — CID 103218398

IUPAC5-amino-2-[2-(2-hydroxyethoxy)ethyl]pyridazin-3-one
SMILESNc1cnn(CCOCCO)c(=O)c1
InChIInChI=1S/C8H13N3O3/c9-7-5-8(13)11(10-6-7)1-3-14-4-2-12/h5-6,12H,1-4,9H2
InChIKeyHFANBFBFUUSNMB-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.17
Rot. Bonds5

About 5-amino-2-[2-(2-hydroxyethoxy)ethyl]pyridazin-3-one

5-amino-2-[2-(2-hydroxyethoxy)ethyl]pyridazin-3-one (PubChem CID 103218398) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-amino-2-[2-(2-hydroxyethoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-[2-(2-hydroxyethoxy)ethyl]pyridazin-3-one
PubChem CID103218398
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name5-amino-2-[2-(2-hydroxyethoxy)ethyl]pyridazin-3-one
SMILESNc1cnn(CCOCCO)c(=O)c1
InChIInChI=1S/C8H13N3O3/c9-7-5-8(13)11(10-6-7)1-3-14-4-2-12/h5-6,12H,1-4,9H2
InChIKeyHFANBFBFUUSNMB-UHFFFAOYSA-N
XLogP-1.17
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-Amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103218426
5-Amino-2-(2-hydroxyethyl)pyridazin-3-one
CID 21449750
5-Amino-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one
CID 103218193
5-Amino-2-(2-propan-2-yloxyethyl)pyridazin-3-one
CID 103218289
5-Amino-2-(2,3-dihydroxypropyl)pyridazin-3-one
CID 103218304
5-Amino-2-(2-methoxyethyl)pyridazin-3-one
CID 103218331
5-Amino-2-(2-ethoxyethyl)pyridazin-3-one
CID 103218357
5-Amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridazin-3-one
CID 103218378
5-Amino-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one
CID 103218380
5-Amino-2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyridazin-3-one
CID 103218415
5-Amino-2-(2-butoxyethyl)pyridazin-3-one
CID 103218429
5-Amino-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one
CID 103218442

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(2-hydroxyethoxy)ethyl]pyridazin-3-one?
The IUPAC name of 5-amino-2-[2-(2-hydroxyethoxy)ethyl]pyridazin-3-one (CID 103218398) is 5-amino-2-[2-(2-hydroxyethoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-amino-2-[2-(2-hydroxyethoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 5-amino-2-[2-(2-hydroxyethoxy)ethyl]pyridazin-3-one is Nc1cnn(CCOCCO)c(=O)c1.
What is the InChIKey of 5-amino-2-[2-(2-hydroxyethoxy)ethyl]pyridazin-3-one?
The InChIKey is HFANBFBFUUSNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c9-7-5-8(13)11(10-6-7)1-3-14-4-2-12/h5-6,12H,1-4,9H2.
What are the key properties of 5-amino-2-[2-(2-hydroxyethoxy)ethyl]pyridazin-3-one?
5-amino-2-[2-(2-hydroxyethoxy)ethyl]pyridazin-3-one has a molecular weight of 199.21 g/mol, XLogP of -1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(2-hydroxyethoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 103218398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).