5-chloro-4-[2-(diethylamino)ethylamino]-1H-pyridazin-6-one

C10H17ClN4O — CID 559501

IUPAC5-chloro-4-[2-(diethylamino)ethylamino]-1H-pyridazin-6-one
SMILESCCN(CC)CCNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C10H17ClN4O/c1-3-15(4-2)6-5-12-8-7-13-14-10(16)9(8)11/h7H,3-6H2,1-2H3,(H2,12,14,16)
InChIKeyMVBKXTUTHYDTKD-UHFFFAOYSA-N
MW244.73 g/mol
LogP1.18
Rot. Bonds6

About 5-chloro-4-[2-(diethylamino)ethylamino]-1H-pyridazin-6-one

5-chloro-4-[2-(diethylamino)ethylamino]-1H-pyridazin-6-one (PubChem CID 559501) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 5-chloro-4-[2-(diethylamino)ethylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(diethylamino)ethylamino]-1H-pyridazin-6-one
PubChem CID559501
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name5-chloro-4-[2-(diethylamino)ethylamino]-1H-pyridazin-6-one
SMILESCCN(CC)CCNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C10H17ClN4O/c1-3-15(4-2)6-5-12-8-7-13-14-10(16)9(8)11/h7H,3-6H2,1-2H3,(H2,12,14,16)
InChIKeyMVBKXTUTHYDTKD-UHFFFAOYSA-N
XLogP1.18
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-(diethylamino)ethylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[2-(diethylamino)ethylamino]-1H-pyridazin-6-one (CID 559501) is 5-chloro-4-[2-(diethylamino)ethylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(diethylamino)ethylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[2-(diethylamino)ethylamino]-1H-pyridazin-6-one is CCN(CC)CCNc1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[2-(diethylamino)ethylamino]-1H-pyridazin-6-one?
The InChIKey is MVBKXTUTHYDTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O/c1-3-15(4-2)6-5-12-8-7-13-14-10(16)9(8)11/h7H,3-6H2,1-2H3,(H2,12,14,16).
What are the key properties of 5-chloro-4-[2-(diethylamino)ethylamino]-1H-pyridazin-6-one?
5-chloro-4-[2-(diethylamino)ethylamino]-1H-pyridazin-6-one has a molecular weight of 244.73 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-(diethylamino)ethylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 559501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).