5-(3-aminopropoxy)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one

C11H16N6O2 — CID 103223128

IUPAC5-(3-aminopropoxy)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
SMILESCn1ncnc1Cn1ncc(OCCCN)cc1=O
InChIInChI=1S/C11H16N6O2/c1-16-10(13-8-15-16)7-17-11(18)5-9(6-14-17)19-4-2-3-12/h5-6,8H,2-4,7,12H2,1H3
InChIKeyGDLJGANBLSKIMT-UHFFFAOYSA-N
MW264.29 g/mol
LogP-0.85
Rot. Bonds6

About 5-(3-aminopropoxy)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one

5-(3-aminopropoxy)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one (PubChem CID 103223128) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 5-(3-aminopropoxy)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(3-aminopropoxy)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
PubChem CID103223128
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name5-(3-aminopropoxy)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
SMILESCn1ncnc1Cn1ncc(OCCCN)cc1=O
InChIInChI=1S/C11H16N6O2/c1-16-10(13-8-15-16)7-17-11(18)5-9(6-14-17)19-4-2-3-12/h5-6,8H,2-4,7,12H2,1H3
InChIKeyGDLJGANBLSKIMT-UHFFFAOYSA-N
XLogP-0.85
TPSA100.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103218195
5-(3-aminopropoxy)-2-(3-ethylsulfanylpropyl)pyridazin-3-one
CID 103223312
5-(3-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one
CID 103223290
5-(2-aminoethoxy)-2-propylpyridazin-3-one
CID 103222684
5-(3-aminopropoxy)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one
CID 103223131
3-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide
CID 103223298
5-(3-aminopropoxy)-2-[(2-bromo-4-fluorophenyl)methyl]pyridazin-3-one
CID 103223296
5-(2-aminoethoxy)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one
CID 103222890
5-(3-aminopropoxy)-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one
CID 103223183
5-(2-aminoethoxy)-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
CID 103222695
5-(3-aminopropoxy)-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 103223238
5-(3-aminopropoxy)-2-[(4-bromo-2-fluorophenyl)methyl]pyridazin-3-one
CID 103223196

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropoxy)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-(3-aminopropoxy)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one (CID 103223128) is 5-(3-aminopropoxy)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(3-aminopropoxy)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(3-aminopropoxy)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one is Cn1ncnc1Cn1ncc(OCCCN)cc1=O.
What is the InChIKey of 5-(3-aminopropoxy)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
The InChIKey is GDLJGANBLSKIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-16-10(13-8-15-16)7-17-11(18)5-9(6-14-17)19-4-2-3-12/h5-6,8H,2-4,7,12H2,1H3.
What are the key properties of 5-(3-aminopropoxy)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
5-(3-aminopropoxy)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one has a molecular weight of 264.29 g/mol, XLogP of -0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropoxy)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103223128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).