5-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)pyridazin-3-one

C12H17N5O — CID 103219386

IUPAC5-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)pyridazin-3-one
SMILESCC(C)Nc1cnn(CCn2cccn2)c(=O)c1
InChIInChI=1S/C12H17N5O/c1-10(2)15-11-8-12(18)17(14-9-11)7-6-16-5-3-4-13-16/h3-5,8-10,15H,6-7H2,1-2H3
InChIKeyKHUHFGPBHQUQNC-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.96
Rot. Bonds5

About 5-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)pyridazin-3-one

5-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)pyridazin-3-one (PubChem CID 103219386) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)pyridazin-3-one
PubChem CID103219386
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name5-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)pyridazin-3-one
SMILESCC(C)Nc1cnn(CCn2cccn2)c(=O)c1
InChIInChI=1S/C12H17N5O/c1-10(2)15-11-8-12(18)17(14-9-11)7-6-16-5-3-4-13-16/h3-5,8-10,15H,6-7H2,1-2H3
InChIKeyKHUHFGPBHQUQNC-UHFFFAOYSA-N
XLogP0.96
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-pentyl-5-(propan-2-ylamino)pyridazin-3-one
CID 103219492
2-(3-methylsulfanylpropyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 103219466
2-(2-oxo-2-piperidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 103219554
5-(methylamino)-2-(3-methylbutyl)pyridazin-3-one
CID 103218528
N-cyclohexyl-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide
CID 103219584
2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one
CID 103219578
2-[(2-fluoro-4-methoxyphenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one
CID 103219476
2-(2-ethylsulfanylethyl)-5-(methylamino)pyridazin-3-one
CID 103218516
2-(3-ethylsulfanylpropyl)-5-(2-methylpropylamino)pyridazin-3-one
CID 103221727
1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine
CID 97342085
2-[2-(dimethylamino)ethyl]-5-(ethylamino)pyridazin-3-one
CID 103219051
6-amino-2-(2-pyrazol-1-ylethyl)pyridazin-3-one
CID 116788167

Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)pyridazin-3-one?
The IUPAC name of 5-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)pyridazin-3-one (CID 103219386) is 5-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)pyridazin-3-one.
What is the SMILES notation for 5-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)pyridazin-3-one?
The canonical SMILES for 5-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)pyridazin-3-one is CC(C)Nc1cnn(CCn2cccn2)c(=O)c1.
What is the InChIKey of 5-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)pyridazin-3-one?
The InChIKey is KHUHFGPBHQUQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-10(2)15-11-8-12(18)17(14-9-11)7-6-16-5-3-4-13-16/h3-5,8-10,15H,6-7H2,1-2H3.
What are the key properties of 5-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)pyridazin-3-one?
5-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)pyridazin-3-one has a molecular weight of 247.30 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)pyridazin-3-one is sourced from PubChem (CID 103219386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).