N-[[6-(1-ethylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine

C13H19N5O — CID 116802800

IUPACN-[[6-(1-ethylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2cnn(CC)c2)nn1
InChIInChI=1S/C13H19N5O/c1-3-7-14-8-11-5-6-13(17-16-11)19-12-9-15-18(4-2)10-12/h5-6,9-10,14H,3-4,7-8H2,1-2H3
InChIKeyCIXHDHITGWYYLZ-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.98
Rot. Bonds7

About N-[[6-(1-ethylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine

N-[[6-(1-ethylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine (PubChem CID 116802800) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[[6-(1-ethylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(1-ethylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine
PubChem CID116802800
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[[6-(1-ethylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2cnn(CC)c2)nn1
InChIInChI=1S/C13H19N5O/c1-3-7-14-8-11-5-6-13(17-16-11)19-12-9-15-18(4-2)10-12/h5-6,9-10,14H,3-4,7-8H2,1-2H3
InChIKeyCIXHDHITGWYYLZ-UHFFFAOYSA-N
XLogP1.98
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 116802957
[6-(1-propylpyrazol-4-yl)oxypyridazin-3-yl]methanol
CID 116802649
2-methyl-N-[[6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine
CID 116803056
N-[[6-(3-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62323410
N-[[6-(3-fluoro-4-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 107170628
N-[[4-chloro-2-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-1-amine
CID 114857831
N-[[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-1-amine
CID 116802102
N-[[6-(2-methoxyphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62321643
N-[(6-propoxypyridazin-3-yl)methyl]propan-1-amine
CID 62291148
N-[[6-(4-chloro-3-ethylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62322422
6-(1-ethylpyrazol-4-yl)oxy-4-N-propylpyrimidine-2,4-diamine
CID 116805934
N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 107660862

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1-ethylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(1-ethylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine (CID 116802800) is N-[[6-(1-ethylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(1-ethylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(1-ethylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine is CCCNCc1ccc(Oc2cnn(CC)c2)nn1.
What is the InChIKey of N-[[6-(1-ethylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine?
The InChIKey is CIXHDHITGWYYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-7-14-8-11-5-6-13(17-16-11)19-12-9-15-18(4-2)10-12/h5-6,9-10,14H,3-4,7-8H2,1-2H3.
What are the key properties of N-[[6-(1-ethylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine?
N-[[6-(1-ethylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine has a molecular weight of 261.33 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1-ethylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 116802800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).