2-[4-(ethylamino)pentyl]-5-methylpyridazin-3-one

C12H21N3O — CID 106548568

IUPAC2-[4-(ethylamino)pentyl]-5-methylpyridazin-3-one
SMILESCCNC(C)CCCn1ncc(C)cc1=O
InChIInChI=1S/C12H21N3O/c1-4-13-11(3)6-5-7-15-12(16)8-10(2)9-14-15/h8-9,11,13H,4-7H2,1-3H3
InChIKeyZTPPSAPBANLECE-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.33
Rot. Bonds6

About 2-[4-(ethylamino)pentyl]-5-methylpyridazin-3-one

2-[4-(ethylamino)pentyl]-5-methylpyridazin-3-one (PubChem CID 106548568) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[4-(ethylamino)pentyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-(ethylamino)pentyl]-5-methylpyridazin-3-one
PubChem CID106548568
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[4-(ethylamino)pentyl]-5-methylpyridazin-3-one
SMILESCCNC(C)CCCn1ncc(C)cc1=O
InChIInChI=1S/C12H21N3O/c1-4-13-11(3)6-5-7-15-12(16)8-10(2)9-14-15/h8-9,11,13H,4-7H2,1-3H3
InChIKeyZTPPSAPBANLECE-UHFFFAOYSA-N
XLogP1.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(3R)-piperidin-3-yl]pyridazin-3-one
CID 166162665
4-Methyl-2-piperidin-3-ylpyridazin-3-one
CID 166162695
Ethane;5-methyl-2-propan-2-ylpyridazin-3-one
CID 169135485
6-oxo-N-propan-2-yl-1H-pyridazine-4-carboxamide
CID 170237311
2-Cyclobutyl-5-methylpyridazin-3-one;propane
CID 171811526
2-[2-(Heptan-2-ylamino)ethyl]pyridazin-3-one
CID 55126826
2-[3-(Propylamino)butyl]pyridazin-3-one
CID 62848727
2-[2-(Pentylamino)ethyl]pyridazin-3-one
CID 62848748
2-[3-(Methylamino)butyl]pyridazin-3-one
CID 62849068
2-[4-(Propan-2-ylamino)butyl]pyridazin-3-one
CID 62849625
2-[4-(Tert-butylamino)butyl]pyridazin-3-one
CID 62849627
2-(2-Aminopentyl)pyridazin-3-one
CID 62849776

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)pentyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[4-(ethylamino)pentyl]-5-methylpyridazin-3-one (CID 106548568) is 2-[4-(ethylamino)pentyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[4-(ethylamino)pentyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[4-(ethylamino)pentyl]-5-methylpyridazin-3-one is CCNC(C)CCCn1ncc(C)cc1=O.
What is the InChIKey of 2-[4-(ethylamino)pentyl]-5-methylpyridazin-3-one?
The InChIKey is ZTPPSAPBANLECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-13-11(3)6-5-7-15-12(16)8-10(2)9-14-15/h8-9,11,13H,4-7H2,1-3H3.
What are the key properties of 2-[4-(ethylamino)pentyl]-5-methylpyridazin-3-one?
2-[4-(ethylamino)pentyl]-5-methylpyridazin-3-one has a molecular weight of 223.32 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)pentyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).