3-[ethyl(2-methylpropyl)amino]-1H-pyridazin-6-one

C10H17N3O — CID 141300649

IUPAC3-[ethyl(2-methylpropyl)amino]-1H-pyridazin-6-one
SMILESCCN(CC(C)C)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H17N3O/c1-4-13(7-8(2)3)9-5-6-10(14)12-11-9/h5-6,8H,4,7H2,1-3H3,(H,12,14)
InChIKeyKJWPHCXFFJNUAB-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.25
Rot. Bonds4

About 3-[ethyl(2-methylpropyl)amino]-1H-pyridazin-6-one

3-[ethyl(2-methylpropyl)amino]-1H-pyridazin-6-one (PubChem CID 141300649) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[ethyl(2-methylpropyl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[ethyl(2-methylpropyl)amino]-1H-pyridazin-6-one
PubChem CID141300649
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[ethyl(2-methylpropyl)amino]-1H-pyridazin-6-one
SMILESCCN(CC(C)C)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H17N3O/c1-4-13(7-8(2)3)9-5-6-10(14)12-11-9/h5-6,8H,4,7H2,1-3H3,(H,12,14)
InChIKeyKJWPHCXFFJNUAB-UHFFFAOYSA-N
XLogP1.25
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Pyrrolidin-1-ylpyridazin-3-ol
CID 13103526
6-(Piperidin-1-yl)pyridazin-3(2H)-one
CID 13274968
3-[butyl(propyl)amino]-5-(trifluoromethyl)-1H-pyridazin-6-one;ethane
CID 168250029
3-[ethyl(propyl)amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 170277930
3-[butyl(propyl)amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 168250030
6-(4-Methylpiperidin-1-yl)pyridazin-3-ol
CID 10465204
6-dimethylamino-2H-pyridazin-3-one
CID 12758394
6-(4-Methylpiperazin-1-yl)pyridazin-3-ol
CID 13103527
6-(Ethylamino)pyridazin-3(2H)-one
CID 13274962
6-(Propylamino)pyridazin-3(2H)-one
CID 13274963
6-(Butylamino)pyridazin-3(2H)-one
CID 13274966
6-(Diethylamino)pyridazin-3(2H)-one
CID 70522275

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methylpropyl)amino]-1H-pyridazin-6-one?
The IUPAC name of 3-[ethyl(2-methylpropyl)amino]-1H-pyridazin-6-one (CID 141300649) is 3-[ethyl(2-methylpropyl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[ethyl(2-methylpropyl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 3-[ethyl(2-methylpropyl)amino]-1H-pyridazin-6-one is CCN(CC(C)C)c1ccc(=O)[nH]n1.
What is the InChIKey of 3-[ethyl(2-methylpropyl)amino]-1H-pyridazin-6-one?
The InChIKey is KJWPHCXFFJNUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-13(7-8(2)3)9-5-6-10(14)12-11-9/h5-6,8H,4,7H2,1-3H3,(H,12,14).
What are the key properties of 3-[ethyl(2-methylpropyl)amino]-1H-pyridazin-6-one?
3-[ethyl(2-methylpropyl)amino]-1H-pyridazin-6-one has a molecular weight of 195.27 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methylpropyl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 141300649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).