4-[methyl(propylamino)amino]-1H-pyridazin-6-one

C8H14N4O — CID 134895673

IUPAC4-[methyl(propylamino)amino]-1H-pyridazin-6-one
SMILESCCCNN(C)c1cn[nH]c(=O)c1
InChIInChI=1S/C8H14N4O/c1-3-4-10-12(2)7-5-8(13)11-9-6-7/h5-6,10H,3-4H2,1-2H3,(H,11,13)
InChIKeyVXDGTKODWFXNEB-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.12
Rot. Bonds4

About 4-[methyl(propylamino)amino]-1H-pyridazin-6-one

4-[methyl(propylamino)amino]-1H-pyridazin-6-one (PubChem CID 134895673) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 4-[methyl(propylamino)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[methyl(propylamino)amino]-1H-pyridazin-6-one
PubChem CID134895673
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name4-[methyl(propylamino)amino]-1H-pyridazin-6-one
SMILESCCCNN(C)c1cn[nH]c(=O)c1
InChIInChI=1S/C8H14N4O/c1-3-4-10-12(2)7-5-8(13)11-9-6-7/h5-6,10H,3-4H2,1-2H3,(H,11,13)
InChIKeyVXDGTKODWFXNEB-UHFFFAOYSA-N
XLogP0.12
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Amino-2,3-dihydropyridazin-3-one
CID 270901
5-Amino-2-methyl-2,3-dihydropyridazin-3-one
CID 10558626
5-(Methylamino)-2,3-dihydropyridazin-3-one
CID 21691755
5-(1-Methylhydrazinyl)pyridazin-3(2H)-one
CID 13417077
5-[Amino(methyl)amino]-2-methylpyridazin-3-one
CID 13417074
4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one
CID 114393081
4-(2-fluoroethylamino)-1H-pyridazin-6-one
CID 133666828
5-[3-Diethylaminopropylamino]-3(2H)-pyridazone
CID 559590
5-(Dimethylamino)-3(2H)-pyridazinone
CID 13103624
5-Hydrazinyl-3(2H)-pyridazinone
CID 13103625
5-(4-methylpiperazino)-3(2H)-pyridazinone
CID 54775541
5-(Ethylamino)-2,3-dihydropyridazin-3-one
CID 68165175

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propylamino)amino]-1H-pyridazin-6-one?
The IUPAC name of 4-[methyl(propylamino)amino]-1H-pyridazin-6-one (CID 134895673) is 4-[methyl(propylamino)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[methyl(propylamino)amino]-1H-pyridazin-6-one?
The canonical SMILES for 4-[methyl(propylamino)amino]-1H-pyridazin-6-one is CCCNN(C)c1cn[nH]c(=O)c1.
What is the InChIKey of 4-[methyl(propylamino)amino]-1H-pyridazin-6-one?
The InChIKey is VXDGTKODWFXNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-3-4-10-12(2)7-5-8(13)11-9-6-7/h5-6,10H,3-4H2,1-2H3,(H,11,13).
What are the key properties of 4-[methyl(propylamino)amino]-1H-pyridazin-6-one?
4-[methyl(propylamino)amino]-1H-pyridazin-6-one has a molecular weight of 182.23 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propylamino)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 134895673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).