5-(2-aminopropoxy)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridazin-3-one

C14H21N5O2 — CID 103223098

IUPAC5-(2-aminopropoxy)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridazin-3-one
SMILESCCn1nc(C)cc1Cn1ncc(OCC(C)N)cc1=O
InChIInChI=1S/C14H21N5O2/c1-4-18-12(5-11(3)17-18)8-19-14(20)6-13(7-16-19)21-9-10(2)15/h5-7,10H,4,8-9,15H2,1-3H3
InChIKeyQLQKJRMWAWOKFL-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.54
Rot. Bonds6

About 5-(2-aminopropoxy)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridazin-3-one

5-(2-aminopropoxy)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridazin-3-one (PubChem CID 103223098) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 5-(2-aminopropoxy)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminopropoxy)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridazin-3-one
PubChem CID103223098
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name5-(2-aminopropoxy)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridazin-3-one
SMILESCCn1nc(C)cc1Cn1ncc(OCC(C)N)cc1=O
InChIInChI=1S/C14H21N5O2/c1-4-18-12(5-11(3)17-18)8-19-14(20)6-13(7-16-19)21-9-10(2)15/h5-7,10H,4,8-9,15H2,1-3H3
InChIKeyQLQKJRMWAWOKFL-UHFFFAOYSA-N
XLogP0.54
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-aminopropoxy)-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
CID 103222940
5-(2-aminopropoxy)-2-benzylpyridazin-3-one
CID 103223013
5-(2-aminopropoxy)-2-(pyridin-4-ylmethyl)pyridazin-3-one
CID 103222937
5-(2-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one
CID 103223081
5-(2-aminopropoxy)-2-(2-hydroxypropyl)pyridazin-3-one
CID 103223050
5-(2-aminopropoxy)-2-(thiophen-2-ylmethyl)pyridazin-3-one
CID 103223038
5-(2-aminopropoxy)-2-(3-methoxypropyl)pyridazin-3-one
CID 103222927
5-(2-aminopropoxy)-2-[(3-bromo-5-fluorophenyl)methyl]pyridazin-3-one
CID 103222923
2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 103222956
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220377
5-(2-aminopropoxy)-2-[(2-chloro-4-fluorophenyl)methyl]pyridazin-3-one
CID 103222984
5-(2-aminoethylamino)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridazin-3-one
CID 103221302

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropoxy)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-(2-aminopropoxy)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridazin-3-one (CID 103223098) is 5-(2-aminopropoxy)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(2-aminopropoxy)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(2-aminopropoxy)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridazin-3-one is CCn1nc(C)cc1Cn1ncc(OCC(C)N)cc1=O.
What is the InChIKey of 5-(2-aminopropoxy)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridazin-3-one?
The InChIKey is QLQKJRMWAWOKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-4-18-12(5-11(3)17-18)8-19-14(20)6-13(7-16-19)21-9-10(2)15/h5-7,10H,4,8-9,15H2,1-3H3.
What are the key properties of 5-(2-aminopropoxy)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridazin-3-one?
5-(2-aminopropoxy)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridazin-3-one has a molecular weight of 291.36 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropoxy)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103223098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).