4-(pentan-3-ylamino)-1H-pyridazin-6-one

C9H15N3O — CID 114391867

IUPAC4-(pentan-3-ylamino)-1H-pyridazin-6-one
SMILESCCC(CC)Nc1cn[nH]c(=O)c1
InChIInChI=1S/C9H15N3O/c1-3-7(4-2)11-8-5-9(13)12-10-6-8/h5-7H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyGIFDXRUDZADYGV-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.37
Rot. Bonds4

About 4-(pentan-3-ylamino)-1H-pyridazin-6-one

4-(pentan-3-ylamino)-1H-pyridazin-6-one (PubChem CID 114391867) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(pentan-3-ylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(pentan-3-ylamino)-1H-pyridazin-6-one
PubChem CID114391867
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-(pentan-3-ylamino)-1H-pyridazin-6-one
SMILESCCC(CC)Nc1cn[nH]c(=O)c1
InChIInChI=1S/C9H15N3O/c1-3-7(4-2)11-8-5-9(13)12-10-6-8/h5-7H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyGIFDXRUDZADYGV-UHFFFAOYSA-N
XLogP1.37
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpentan-3-ylamino)-1H-pyridazin-6-one
CID 114392071
4-(1-hydroxypropan-2-ylamino)-1H-pyridazin-6-one
CID 114391952
4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one
CID 114392475
4-(4-hydroxypentan-2-ylamino)-1H-pyridazin-6-one
CID 114392438
4-(1-methylsulfonylpropan-2-ylamino)-1H-pyridazin-6-one
CID 114392237
4-(5-hydroxypentan-2-ylamino)-1H-pyridazin-6-one
CID 114392355
4-(4-methylsulfinylbutan-2-ylamino)-1H-pyridazin-6-one
CID 114392507
4-(2-methylhydrazinyl)-1H-pyridazin-6-one
CID 142128565
4-(3-methylbutylamino)-1H-pyridazin-6-one
CID 114391891
methyl 3-methyl-2-[(6-oxo-1H-pyridazin-4-yl)amino]butanoate
CID 114392106
4-(2-ethoxyethylamino)-1H-pyridazin-6-one
CID 114391849
ethyl 2-[(6-oxo-1H-pyridazin-4-yl)amino]acetate
CID 114391976

Frequently Asked Questions

What is the IUPAC name of 4-(pentan-3-ylamino)-1H-pyridazin-6-one?
The IUPAC name of 4-(pentan-3-ylamino)-1H-pyridazin-6-one (CID 114391867) is 4-(pentan-3-ylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(pentan-3-ylamino)-1H-pyridazin-6-one?
The canonical SMILES for 4-(pentan-3-ylamino)-1H-pyridazin-6-one is CCC(CC)Nc1cn[nH]c(=O)c1.
What is the InChIKey of 4-(pentan-3-ylamino)-1H-pyridazin-6-one?
The InChIKey is GIFDXRUDZADYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-7(4-2)11-8-5-9(13)12-10-6-8/h5-7H,3-4H2,1-2H3,(H2,11,12,13).
What are the key properties of 4-(pentan-3-ylamino)-1H-pyridazin-6-one?
4-(pentan-3-ylamino)-1H-pyridazin-6-one has a molecular weight of 181.24 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentan-3-ylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 114391867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).