5-chloro-4-[3-(dimethylamino)propylamino]-1H-pyridazin-6-one

C9H15ClN4O — CID 546968

IUPAC5-chloro-4-[3-(dimethylamino)propylamino]-1H-pyridazin-6-one
SMILESCN(C)CCCNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C9H15ClN4O/c1-14(2)5-3-4-11-7-6-12-13-9(15)8(7)10/h6H,3-5H2,1-2H3,(H2,11,13,15)
InChIKeyCQCVLAHPHNMLMI-UHFFFAOYSA-N
MW230.70 g/mol
LogP0.79
Rot. Bonds5

About 5-chloro-4-[3-(dimethylamino)propylamino]-1H-pyridazin-6-one

5-chloro-4-[3-(dimethylamino)propylamino]-1H-pyridazin-6-one (PubChem CID 546968) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 5-chloro-4-[3-(dimethylamino)propylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[3-(dimethylamino)propylamino]-1H-pyridazin-6-one
PubChem CID546968
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name5-chloro-4-[3-(dimethylamino)propylamino]-1H-pyridazin-6-one
SMILESCN(C)CCCNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C9H15ClN4O/c1-14(2)5-3-4-11-7-6-12-13-9(15)8(7)10/h6H,3-5H2,1-2H3,(H2,11,13,15)
InChIKeyCQCVLAHPHNMLMI-UHFFFAOYSA-N
XLogP0.79
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-(dimethylamino)propylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[3-(dimethylamino)propylamino]-1H-pyridazin-6-one (CID 546968) is 5-chloro-4-[3-(dimethylamino)propylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[3-(dimethylamino)propylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[3-(dimethylamino)propylamino]-1H-pyridazin-6-one is CN(C)CCCNc1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[3-(dimethylamino)propylamino]-1H-pyridazin-6-one?
The InChIKey is CQCVLAHPHNMLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O/c1-14(2)5-3-4-11-7-6-12-13-9(15)8(7)10/h6H,3-5H2,1-2H3,(H2,11,13,15).
What are the key properties of 5-chloro-4-[3-(dimethylamino)propylamino]-1H-pyridazin-6-one?
5-chloro-4-[3-(dimethylamino)propylamino]-1H-pyridazin-6-one has a molecular weight of 230.70 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-(dimethylamino)propylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 546968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).