4-(5-hydroxypentan-2-ylamino)-1H-pyridazin-6-one

C9H15N3O2 — CID 114392355

IUPAC4-(5-hydroxypentan-2-ylamino)-1H-pyridazin-6-one
SMILESCC(CCCO)Nc1cn[nH]c(=O)c1
InChIInChI=1S/C9H15N3O2/c1-7(3-2-4-13)11-8-5-9(14)12-10-6-8/h5-7,13H,2-4H2,1H3,(H2,11,12,14)
InChIKeyNCTVMWUNFPLPAU-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.34
Rot. Bonds5

About 4-(5-hydroxypentan-2-ylamino)-1H-pyridazin-6-one

4-(5-hydroxypentan-2-ylamino)-1H-pyridazin-6-one (PubChem CID 114392355) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(5-hydroxypentan-2-ylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(5-hydroxypentan-2-ylamino)-1H-pyridazin-6-one
PubChem CID114392355
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-(5-hydroxypentan-2-ylamino)-1H-pyridazin-6-one
SMILESCC(CCCO)Nc1cn[nH]c(=O)c1
InChIInChI=1S/C9H15N3O2/c1-7(3-2-4-13)11-8-5-9(14)12-10-6-8/h5-7,13H,2-4H2,1H3,(H2,11,12,14)
InChIKeyNCTVMWUNFPLPAU-UHFFFAOYSA-N
XLogP0.34
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-hydroxypropan-2-ylamino)-1H-pyridazin-6-one
CID 114391952
4-(4-hydroxypentan-2-ylamino)-1H-pyridazin-6-one
CID 114392438
4-(4-methylsulfinylbutan-2-ylamino)-1H-pyridazin-6-one
CID 114392507
4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one
CID 114392475
4-(1-methylsulfonylpropan-2-ylamino)-1H-pyridazin-6-one
CID 114392237
4-(pentan-3-ylamino)-1H-pyridazin-6-one
CID 114391867
4-(2-methylpentan-3-ylamino)-1H-pyridazin-6-one
CID 114392071
4-(3-hydroxypropylamino)-1H-pyridazin-6-one
CID 114391926
4-(3-methylbutylamino)-1H-pyridazin-6-one
CID 114391891
methyl 3-methyl-2-[(6-oxo-1H-pyridazin-4-yl)amino]butanoate
CID 114392106
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylamino)pentan-1-ol
CID 115976213
(4S)-4-(4-methylanilino)pentan-1-ol
CID 94830686

Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxypentan-2-ylamino)-1H-pyridazin-6-one?
The IUPAC name of 4-(5-hydroxypentan-2-ylamino)-1H-pyridazin-6-one (CID 114392355) is 4-(5-hydroxypentan-2-ylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(5-hydroxypentan-2-ylamino)-1H-pyridazin-6-one?
The canonical SMILES for 4-(5-hydroxypentan-2-ylamino)-1H-pyridazin-6-one is CC(CCCO)Nc1cn[nH]c(=O)c1.
What is the InChIKey of 4-(5-hydroxypentan-2-ylamino)-1H-pyridazin-6-one?
The InChIKey is NCTVMWUNFPLPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7(3-2-4-13)11-8-5-9(14)12-10-6-8/h5-7,13H,2-4H2,1H3,(H2,11,12,14).
What are the key properties of 4-(5-hydroxypentan-2-ylamino)-1H-pyridazin-6-one?
4-(5-hydroxypentan-2-ylamino)-1H-pyridazin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxypentan-2-ylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 114392355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).