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

C9H15N3O2 — CID 114392438

IUPAC4-(4-hydroxypentan-2-ylamino)-1H-pyridazin-6-one
SMILESCC(O)CC(C)Nc1cn[nH]c(=O)c1
InChIInChI=1S/C9H15N3O2/c1-6(3-7(2)13)11-8-4-9(14)12-10-5-8/h4-7,13H,3H2,1-2H3,(H2,11,12,14)
InChIKeyPTMUGEUYKZTZHQ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.34
Rot. Bonds4

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

4-(4-hydroxypentan-2-ylamino)-1H-pyridazin-6-one (PubChem CID 114392438) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(4-hydroxypentan-2-ylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(4-hydroxypentan-2-ylamino)-1H-pyridazin-6-one
PubChem CID114392438
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-(4-hydroxypentan-2-ylamino)-1H-pyridazin-6-one
SMILESCC(O)CC(C)Nc1cn[nH]c(=O)c1
InChIInChI=1S/C9H15N3O2/c1-6(3-7(2)13)11-8-4-9(14)12-10-5-8/h4-7,13H,3H2,1-2H3,(H2,11,12,14)
InChIKeyPTMUGEUYKZTZHQ-UHFFFAOYSA-N
XLogP0.34
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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-(5-hydroxypentan-2-ylamino)-1H-pyridazin-6-one
CID 114392355
4-(1-methylsulfonylpropan-2-ylamino)-1H-pyridazin-6-one
CID 114392237
4-(pentan-3-ylamino)-1H-pyridazin-6-one
CID 114391867
4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one
CID 114392475
4-(4-methylsulfinylbutan-2-ylamino)-1H-pyridazin-6-one
CID 114392507
4-(3-methylbutylamino)-1H-pyridazin-6-one
CID 114391891
4-(2-methylpentan-3-ylamino)-1H-pyridazin-6-one
CID 114392071
methyl 3-methyl-2-[(6-oxo-1H-pyridazin-4-yl)amino]butanoate
CID 114392106
4-(4-hydroxypentan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137016620
4-(3-hydroxypropylamino)-1H-pyridazin-6-one
CID 114391926
4-(2-methylhydrazinyl)-1H-pyridazin-6-one
CID 142128565

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypentan-2-ylamino)-1H-pyridazin-6-one?
The IUPAC name of 4-(4-hydroxypentan-2-ylamino)-1H-pyridazin-6-one (CID 114392438) is 4-(4-hydroxypentan-2-ylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(4-hydroxypentan-2-ylamino)-1H-pyridazin-6-one?
The canonical SMILES for 4-(4-hydroxypentan-2-ylamino)-1H-pyridazin-6-one is CC(O)CC(C)Nc1cn[nH]c(=O)c1.
What is the InChIKey of 4-(4-hydroxypentan-2-ylamino)-1H-pyridazin-6-one?
The InChIKey is PTMUGEUYKZTZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(3-7(2)13)11-8-4-9(14)12-10-5-8/h4-7,13H,3H2,1-2H3,(H2,11,12,14).
What are the key properties of 4-(4-hydroxypentan-2-ylamino)-1H-pyridazin-6-one?
4-(4-hydroxypentan-2-ylamino)-1H-pyridazin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypentan-2-ylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 114392438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).