1-[2-(pyridazin-4-ylamino)ethyl]piperazin-2-one;hydrochloride

C10H16ClN5O — CID 69026185

IUPAC1-[2-(pyridazin-4-ylamino)ethyl]piperazin-2-one;hydrochloride
SMILESCl.O=C1CNCCN1CCNc1ccnnc1
InChIInChI=1S/C10H15N5O.ClH/c16-10-8-11-3-5-15(10)6-4-12-9-1-2-13-14-7-9;/h1-2,7,11H,3-6,8H2,(H,12,13);1H
InChIKeyHEZNMPDVHCJTFN-UHFFFAOYSA-N
MW257.72 g/mol
LogP-0.26
Rot. Bonds4

About 1-[2-(pyridazin-4-ylamino)ethyl]piperazin-2-one;hydrochloride

1-[2-(pyridazin-4-ylamino)ethyl]piperazin-2-one;hydrochloride (PubChem CID 69026185) has the molecular formula C10H16ClN5O and a molecular weight of 257.72 g/mol. Its IUPAC name is 1-[2-(pyridazin-4-ylamino)ethyl]piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(pyridazin-4-ylamino)ethyl]piperazin-2-one;hydrochloride
PubChem CID69026185
Molecular FormulaC10H16ClN5O
Molecular Weight257.72 g/mol
Exact Mass257.10
IUPAC Name1-[2-(pyridazin-4-ylamino)ethyl]piperazin-2-one;hydrochloride
SMILESCl.O=C1CNCCN1CCNc1ccnnc1
InChIInChI=1S/C10H15N5O.ClH/c16-10-8-11-3-5-15(10)6-4-12-9-1-2-13-14-7-9;/h1-2,7,11H,3-6,8H2,(H,12,13);1H
InChIKeyHEZNMPDVHCJTFN-UHFFFAOYSA-N
XLogP-0.26
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyridazin-4-ylamino)ethyl]piperazin-2-one;hydrochloride?
The IUPAC name of 1-[2-(pyridazin-4-ylamino)ethyl]piperazin-2-one;hydrochloride (CID 69026185) is 1-[2-(pyridazin-4-ylamino)ethyl]piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-[2-(pyridazin-4-ylamino)ethyl]piperazin-2-one;hydrochloride?
The canonical SMILES for 1-[2-(pyridazin-4-ylamino)ethyl]piperazin-2-one;hydrochloride is Cl.O=C1CNCCN1CCNc1ccnnc1.
What is the InChIKey of 1-[2-(pyridazin-4-ylamino)ethyl]piperazin-2-one;hydrochloride?
The InChIKey is HEZNMPDVHCJTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O.ClH/c16-10-8-11-3-5-15(10)6-4-12-9-1-2-13-14-7-9;/h1-2,7,11H,3-6,8H2,(H,12,13);1H.
What are the key properties of 1-[2-(pyridazin-4-ylamino)ethyl]piperazin-2-one;hydrochloride?
1-[2-(pyridazin-4-ylamino)ethyl]piperazin-2-one;hydrochloride has a molecular weight of 257.72 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyridazin-4-ylamino)ethyl]piperazin-2-one;hydrochloride is sourced from PubChem (CID 69026185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).