5-(2-aminoethoxy)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one

C12H16ClN5O2 — CID 103222890

IUPAC5-(2-aminoethoxy)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one
SMILESCc1nn(C)c(Cl)c1Cn1ncc(OCCN)cc1=O
InChIInChI=1S/C12H16ClN5O2/c1-8-10(12(13)17(2)16-8)7-18-11(19)5-9(6-15-18)20-4-3-14/h5-6H,3-4,7,14H2,1-2H3
InChIKeyUPGKXXPNQPEKCD-UHFFFAOYSA-N
MW297.75 g/mol
LogP0.32
Rot. Bonds5

About 5-(2-aminoethoxy)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one

5-(2-aminoethoxy)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one (PubChem CID 103222890) has the molecular formula C12H16ClN5O2 and a molecular weight of 297.75 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one
PubChem CID103222890
Molecular FormulaC12H16ClN5O2
Molecular Weight297.75 g/mol
Exact Mass297.10
IUPAC Name5-(2-aminoethoxy)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one
SMILESCc1nn(C)c(Cl)c1Cn1ncc(OCCN)cc1=O
InChIInChI=1S/C12H16ClN5O2/c1-8-10(12(13)17(2)16-8)7-18-11(19)5-9(6-15-18)20-4-3-14/h5-6H,3-4,7,14H2,1-2H3
InChIKeyUPGKXXPNQPEKCD-UHFFFAOYSA-N
XLogP0.32
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-aminoethyl(methyl)amino]-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one
CID 103223526
5-(2-aminoethoxy)-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
CID 103222695
5-(2-aminoethoxy)-2-propylpyridazin-3-one
CID 103222684
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one
CID 103222013
5-(3-aminopropoxy)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103223128
5-(2-aminoethoxy)-2-[(3-chlorophenyl)methyl]pyridazin-3-one
CID 103222750
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223738
3-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide
CID 103222872
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyridazin-3-one
CID 62923563
4-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]butanenitrile
CID 103222795
5-(2-aminoethoxy)-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 103222846
5-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]pentanenitrile
CID 103222821

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one (CID 103222890) is 5-(2-aminoethoxy)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one is Cc1nn(C)c(Cl)c1Cn1ncc(OCCN)cc1=O.
What is the InChIKey of 5-(2-aminoethoxy)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one?
The InChIKey is UPGKXXPNQPEKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O2/c1-8-10(12(13)17(2)16-8)7-18-11(19)5-9(6-15-18)20-4-3-14/h5-6H,3-4,7,14H2,1-2H3.
What are the key properties of 5-(2-aminoethoxy)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one?
5-(2-aminoethoxy)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one has a molecular weight of 297.75 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103222890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).