6-(2-propoxyphenyl)-N-propylpyridazin-3-amine

C16H21N3O — CID 104663190

IUPAC6-(2-propoxyphenyl)-N-propylpyridazin-3-amine
SMILESCCCNc1ccc(-c2ccccc2OCCC)nn1
InChIInChI=1S/C16H21N3O/c1-3-11-17-16-10-9-14(18-19-16)13-7-5-6-8-15(13)20-12-4-2/h5-10H,3-4,11-12H2,1-2H3,(H,17,19)
InChIKeyHFHATZXXUGDBQT-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.75
Rot. Bonds7

About 6-(2-propoxyphenyl)-N-propylpyridazin-3-amine

6-(2-propoxyphenyl)-N-propylpyridazin-3-amine (PubChem CID 104663190) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-(2-propoxyphenyl)-N-propylpyridazin-3-amine.

Molecular Properties

Compound Name6-(2-propoxyphenyl)-N-propylpyridazin-3-amine
PubChem CID104663190
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-(2-propoxyphenyl)-N-propylpyridazin-3-amine
SMILESCCCNc1ccc(-c2ccccc2OCCC)nn1
InChIInChI=1S/C16H21N3O/c1-3-11-17-16-10-9-14(18-19-16)13-7-5-6-8-15(13)20-12-4-2/h5-10H,3-4,11-12H2,1-2H3,(H,17,19)
InChIKeyHFHATZXXUGDBQT-UHFFFAOYSA-N
XLogP3.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-heptoxy-6-(2-octoxyphenyl)pyridazine
CID 19909321
6-(2-nitrophenyl)-N-propylpyridazin-3-amine
CID 62203904
4-methyl-6-(2-propoxyphenyl)-N-propylpyrimidin-2-amine
CID 104663148
6-[2-(2-methoxyethoxy)phenyl]-N-propylpyrimidin-4-amine
CID 104663227
3-(2-propoxyphenyl)-N-propylpyrazin-2-amine
CID 104663160
6-(2,4-dichlorophenyl)-N-propylpyridazin-3-amine
CID 55138294
N-ethyl-4-(2-propoxyphenyl)pyrimidin-2-amine
CID 104663175
3-dodecoxy-6-[2-(2-methylbutoxy)phenyl]pyridazine
CID 19909361
N-ethyl-4-methyl-6-(2-propoxyphenyl)pyrimidin-2-amine
CID 104663149
N'-[6-(4-propoxyphenyl)pyridazin-3-yl]propane-1,3-diamine
CID 82191585
N-methyl-5-nitro-6-(2-propoxyphenyl)pyridin-2-amine
CID 104663109
6-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpyridazin-3-amine
CID 53013577

Frequently Asked Questions

What is the IUPAC name of 6-(2-propoxyphenyl)-N-propylpyridazin-3-amine?
The IUPAC name of 6-(2-propoxyphenyl)-N-propylpyridazin-3-amine (CID 104663190) is 6-(2-propoxyphenyl)-N-propylpyridazin-3-amine.
What is the SMILES notation for 6-(2-propoxyphenyl)-N-propylpyridazin-3-amine?
The canonical SMILES for 6-(2-propoxyphenyl)-N-propylpyridazin-3-amine is CCCNc1ccc(-c2ccccc2OCCC)nn1.
What is the InChIKey of 6-(2-propoxyphenyl)-N-propylpyridazin-3-amine?
The InChIKey is HFHATZXXUGDBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-11-17-16-10-9-14(18-19-16)13-7-5-6-8-15(13)20-12-4-2/h5-10H,3-4,11-12H2,1-2H3,(H,17,19).
What are the key properties of 6-(2-propoxyphenyl)-N-propylpyridazin-3-amine?
6-(2-propoxyphenyl)-N-propylpyridazin-3-amine has a molecular weight of 271.36 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propoxyphenyl)-N-propylpyridazin-3-amine is sourced from PubChem (CID 104663190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).