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

C8H13N3O3 — CID 23448466

IUPAC4-[bis(2-hydroxyethyl)amino]-1H-pyridazin-6-one
SMILESO=c1cc(N(CCO)CCO)cn[nH]1
InChIInChI=1S/C8H13N3O3/c12-3-1-11(2-4-13)7-5-8(14)10-9-6-7/h5-6,12-13H,1-4H2,(H,10,14)
InChIKeyJZIWJOMRKBQAON-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.44
Rot. Bonds5

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

4-[bis(2-hydroxyethyl)amino]-1H-pyridazin-6-one (PubChem CID 23448466) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-[bis(2-hydroxyethyl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[bis(2-hydroxyethyl)amino]-1H-pyridazin-6-one
PubChem CID23448466
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name4-[bis(2-hydroxyethyl)amino]-1H-pyridazin-6-one
SMILESO=c1cc(N(CCO)CCO)cn[nH]1
InChIInChI=1S/C8H13N3O3/c12-3-1-11(2-4-13)7-5-8(14)10-9-6-7/h5-6,12-13H,1-4H2,(H,10,14)
InChIKeyJZIWJOMRKBQAON-UHFFFAOYSA-N
XLogP-1.44
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-hydroxyethyl)amino]-1H-pyridazin-6-one?
The IUPAC name of 4-[bis(2-hydroxyethyl)amino]-1H-pyridazin-6-one (CID 23448466) is 4-[bis(2-hydroxyethyl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[bis(2-hydroxyethyl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 4-[bis(2-hydroxyethyl)amino]-1H-pyridazin-6-one is O=c1cc(N(CCO)CCO)cn[nH]1.
What is the InChIKey of 4-[bis(2-hydroxyethyl)amino]-1H-pyridazin-6-one?
The InChIKey is JZIWJOMRKBQAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c12-3-1-11(2-4-13)7-5-8(14)10-9-6-7/h5-6,12-13H,1-4H2,(H,10,14).
What are the key properties of 4-[bis(2-hydroxyethyl)amino]-1H-pyridazin-6-one?
4-[bis(2-hydroxyethyl)amino]-1H-pyridazin-6-one has a molecular weight of 199.21 g/mol, XLogP of -1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-hydroxyethyl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 23448466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).