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

C8H14ClN3O3 — CID 23448477

IUPAC4-[bis(2-hydroxyethyl)amino]-1H-pyridazin-6-one;hydrochloride
SMILESCl.O=c1cc(N(CCO)CCO)cn[nH]1
InChIInChI=1S/C8H13N3O3.ClH/c12-3-1-11(2-4-13)7-5-8(14)10-9-6-7;/h5-6,12-13H,1-4H2,(H,10,14);1H
InChIKeyWHSQTBFIMUJKQK-UHFFFAOYSA-N
MW235.67 g/mol
LogP-1.02
Rot. Bonds5

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

4-[bis(2-hydroxyethyl)amino]-1H-pyridazin-6-one;hydrochloride (PubChem CID 23448477) has the molecular formula C8H14ClN3O3 and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-[bis(2-hydroxyethyl)amino]-1H-pyridazin-6-one;hydrochloride.

Molecular Properties

Compound Name4-[bis(2-hydroxyethyl)amino]-1H-pyridazin-6-one;hydrochloride
PubChem CID23448477
Molecular FormulaC8H14ClN3O3
Molecular Weight235.67 g/mol
Exact Mass235.07
IUPAC Name4-[bis(2-hydroxyethyl)amino]-1H-pyridazin-6-one;hydrochloride
SMILESCl.O=c1cc(N(CCO)CCO)cn[nH]1
InChIInChI=1S/C8H13N3O3.ClH/c12-3-1-11(2-4-13)7-5-8(14)10-9-6-7;/h5-6,12-13H,1-4H2,(H,10,14);1H
InChIKeyWHSQTBFIMUJKQK-UHFFFAOYSA-N
XLogP-1.02
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 5-1.02
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;hydrochloride?
The IUPAC name of 4-[bis(2-hydroxyethyl)amino]-1H-pyridazin-6-one;hydrochloride (CID 23448477) is 4-[bis(2-hydroxyethyl)amino]-1H-pyridazin-6-one;hydrochloride.
What is the SMILES notation for 4-[bis(2-hydroxyethyl)amino]-1H-pyridazin-6-one;hydrochloride?
The canonical SMILES for 4-[bis(2-hydroxyethyl)amino]-1H-pyridazin-6-one;hydrochloride is Cl.O=c1cc(N(CCO)CCO)cn[nH]1.
What is the InChIKey of 4-[bis(2-hydroxyethyl)amino]-1H-pyridazin-6-one;hydrochloride?
The InChIKey is WHSQTBFIMUJKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3.ClH/c12-3-1-11(2-4-13)7-5-8(14)10-9-6-7;/h5-6,12-13H,1-4H2,(H,10,14);1H.
What are the key properties of 4-[bis(2-hydroxyethyl)amino]-1H-pyridazin-6-one;hydrochloride?
4-[bis(2-hydroxyethyl)amino]-1H-pyridazin-6-one;hydrochloride has a molecular weight of 235.67 g/mol, XLogP of -1.02, 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;hydrochloride is sourced from PubChem (CID 23448477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).