4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one

C10H16ClN3O — CID 114431758

IUPAC4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one
SMILESCCNc1cnn(CC(C)C)c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O/c1-4-12-8-5-13-14(6-7(2)3)10(15)9(8)11/h5,7,12H,4,6H2,1-3H3
InChIKeyNXTDQFFVLIVOGC-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.98
Rot. Bonds4

About 4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one

4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 114431758) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID114431758
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one
SMILESCCNc1cnn(CC(C)C)c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O/c1-4-12-8-5-13-14(6-7(2)3)10(15)9(8)11/h5,7,12H,4,6H2,1-3H3
InChIKeyNXTDQFFVLIVOGC-UHFFFAOYSA-N
XLogP1.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114444576
4-chloro-5-(2-ethoxypropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114442227
4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114266993
4-chloro-2-(2-methylpropyl)-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one
CID 114440008
4-chloro-5-[(2-methyl-3-methylsulfanylpropyl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114438330
4-chloro-5-[(2-ethyl-4-hydroxybutyl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114440326
4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 106136715
N-[2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide
CID 114433515
4-chloro-5-[2-(2-hydroxyethyl)pentylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 106115759
4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one
CID 114432372
4-chloro-2-(2-methylpropyl)-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
CID 114436460
4-chloro-5-(5-methylhexan-2-ylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114438260

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one (CID 114431758) is 4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one is CCNc1cnn(CC(C)C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is NXTDQFFVLIVOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-4-12-8-5-13-14(6-7(2)3)10(15)9(8)11/h5,7,12H,4,6H2,1-3H3.
What are the key properties of 4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one?
4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 229.71 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 114431758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).