[3-(4-propylphenoxy)pyridazin-4-yl]methanamine

C14H17N3O — CID 80507890

IUPAC[3-(4-propylphenoxy)pyridazin-4-yl]methanamine
SMILESCCCc1ccc(Oc2nnccc2CN)cc1
InChIInChI=1S/C14H17N3O/c1-2-3-11-4-6-13(7-5-11)18-14-12(10-15)8-9-16-17-14/h4-9H,2-3,10,15H2,1H3
InChIKeyYWQIVMKXRTWXSJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.68
Rot. Bonds5

About [3-(4-propylphenoxy)pyridazin-4-yl]methanamine

[3-(4-propylphenoxy)pyridazin-4-yl]methanamine (PubChem CID 80507890) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [3-(4-propylphenoxy)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(4-propylphenoxy)pyridazin-4-yl]methanamine
PubChem CID80507890
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[3-(4-propylphenoxy)pyridazin-4-yl]methanamine
SMILESCCCc1ccc(Oc2nnccc2CN)cc1
InChIInChI=1S/C14H17N3O/c1-2-3-11-4-6-13(7-5-11)18-14-12(10-15)8-9-16-17-14/h4-9H,2-3,10,15H2,1H3
InChIKeyYWQIVMKXRTWXSJ-UHFFFAOYSA-N
XLogP2.68
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-ethoxyphenoxy)pyridazin-4-yl]methanamine
CID 80508075
(3-phenoxypyridazin-4-yl)methanamine
CID 80507739
[3-[3-(methoxymethyl)phenoxy]pyridazin-4-yl]methanamine
CID 80508065
3-(4-butylphenoxy)pyridazine-4-carbothioamide
CID 115492623
[3-(4-butylphenoxy)-4-pyridinyl]methanamine
CID 115492198
[3-(4-methylcyclohexyl)oxypyridazin-4-yl]methanamine
CID 80507790
(4-propylphenyl) hypochlorite
CID 175330115
4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridazin-3-amine
CID 80508911
[3-(2-bromo-4-fluorophenoxy)pyridazin-4-yl]methanamine
CID 80507794
5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880474
6-chloro-2-(4-propylphenoxy)pyridin-3-amine
CID 115474531
ethanamine;1-methoxy-4-propylbenzene
CID 19382800

Frequently Asked Questions

What is the IUPAC name of [3-(4-propylphenoxy)pyridazin-4-yl]methanamine?
The IUPAC name of [3-(4-propylphenoxy)pyridazin-4-yl]methanamine (CID 80507890) is [3-(4-propylphenoxy)pyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(4-propylphenoxy)pyridazin-4-yl]methanamine?
The canonical SMILES for [3-(4-propylphenoxy)pyridazin-4-yl]methanamine is CCCc1ccc(Oc2nnccc2CN)cc1.
What is the InChIKey of [3-(4-propylphenoxy)pyridazin-4-yl]methanamine?
The InChIKey is YWQIVMKXRTWXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-3-11-4-6-13(7-5-11)18-14-12(10-15)8-9-16-17-14/h4-9H,2-3,10,15H2,1H3.
What are the key properties of [3-(4-propylphenoxy)pyridazin-4-yl]methanamine?
[3-(4-propylphenoxy)pyridazin-4-yl]methanamine has a molecular weight of 243.31 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-propylphenoxy)pyridazin-4-yl]methanamine is sourced from PubChem (CID 80507890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).