4-[ethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one

C8H13N3O2 — CID 114393076

IUPAC4-[ethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one
SMILESCCN(CCO)c1cn[nH]c(=O)c1
InChIInChI=1S/C8H13N3O2/c1-2-11(3-4-12)7-5-8(13)10-9-6-7/h5-6,12H,2-4H2,1H3,(H,10,13)
InChIKeyWQPMEVJKDLAVHT-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.41
Rot. Bonds4

About 4-[ethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one

4-[ethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one (PubChem CID 114393076) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-[ethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[ethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one
PubChem CID114393076
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-[ethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one
SMILESCCN(CCO)c1cn[nH]c(=O)c1
InChIInChI=1S/C8H13N3O2/c1-2-11(3-4-12)7-5-8(13)10-9-6-7/h5-6,12H,2-4H2,1H3,(H,10,13)
InChIKeyWQPMEVJKDLAVHT-UHFFFAOYSA-N
XLogP-0.41
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one?
The IUPAC name of 4-[ethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one (CID 114393076) is 4-[ethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[ethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 4-[ethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one is CCN(CCO)c1cn[nH]c(=O)c1.
What is the InChIKey of 4-[ethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one?
The InChIKey is WQPMEVJKDLAVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-11(3-4-12)7-5-8(13)10-9-6-7/h5-6,12H,2-4H2,1H3,(H,10,13).
What are the key properties of 4-[ethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one?
4-[ethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one has a molecular weight of 183.21 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 114393076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).