6-(1,3-benzoxazol-6-yl)-N-ethylpyridazin-3-amine

C13H12N4O — CID 116973196

IUPAC6-(1,3-benzoxazol-6-yl)-N-ethylpyridazin-3-amine
SMILESCCNc1ccc(-c2ccc3ncoc3c2)nn1
InChIInChI=1S/C13H12N4O/c1-2-14-13-6-5-10(16-17-13)9-3-4-11-12(7-9)18-8-15-11/h3-8H,2H2,1H3,(H,14,17)
InChIKeyHLSLIGSIUSPXSY-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.72
Rot. Bonds3

About 6-(1,3-benzoxazol-6-yl)-N-ethylpyridazin-3-amine

6-(1,3-benzoxazol-6-yl)-N-ethylpyridazin-3-amine (PubChem CID 116973196) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 6-(1,3-benzoxazol-6-yl)-N-ethylpyridazin-3-amine.

Molecular Properties

Compound Name6-(1,3-benzoxazol-6-yl)-N-ethylpyridazin-3-amine
PubChem CID116973196
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name6-(1,3-benzoxazol-6-yl)-N-ethylpyridazin-3-amine
SMILESCCNc1ccc(-c2ccc3ncoc3c2)nn1
InChIInChI=1S/C13H12N4O/c1-2-14-13-6-5-10(16-17-13)9-3-4-11-12(7-9)18-8-15-11/h3-8H,2H2,1H3,(H,14,17)
InChIKeyHLSLIGSIUSPXSY-UHFFFAOYSA-N
XLogP2.72
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-[6-(1,3-benzoxazol-6-yl)pyridazin-3-yl]propane-1,2-diamine
CID 116970582
6-(3,4-difluorophenyl)-N-ethylpyridazin-3-amine
CID 62201604
6-(4-tert-butylphenyl)-N-ethylpyridazin-3-amine
CID 62202156
4-N-(1,3-benzoxazol-6-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 115265690
6-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpyridazin-3-amine
CID 104544803
5-[6-(ethylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one
CID 116973198
N-ethyl-6-(6-methoxynaphthalen-2-yl)pyridazin-3-amine
CID 62785536
[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]methanamine
CID 116892346
N-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
CID 62201435
6-phenyl-1,3-benzoxazole
CID 19026755
N-ethyl-6-(2,3,5,6-tetramethylphenyl)pyridazin-3-amine
CID 116973176
4-(1,3-benzoxazol-6-yl)pyrimidin-2-amine
CID 116900490

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzoxazol-6-yl)-N-ethylpyridazin-3-amine?
The IUPAC name of 6-(1,3-benzoxazol-6-yl)-N-ethylpyridazin-3-amine (CID 116973196) is 6-(1,3-benzoxazol-6-yl)-N-ethylpyridazin-3-amine.
What is the SMILES notation for 6-(1,3-benzoxazol-6-yl)-N-ethylpyridazin-3-amine?
The canonical SMILES for 6-(1,3-benzoxazol-6-yl)-N-ethylpyridazin-3-amine is CCNc1ccc(-c2ccc3ncoc3c2)nn1.
What is the InChIKey of 6-(1,3-benzoxazol-6-yl)-N-ethylpyridazin-3-amine?
The InChIKey is HLSLIGSIUSPXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-2-14-13-6-5-10(16-17-13)9-3-4-11-12(7-9)18-8-15-11/h3-8H,2H2,1H3,(H,14,17).
What are the key properties of 6-(1,3-benzoxazol-6-yl)-N-ethylpyridazin-3-amine?
6-(1,3-benzoxazol-6-yl)-N-ethylpyridazin-3-amine has a molecular weight of 240.27 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzoxazol-6-yl)-N-ethylpyridazin-3-amine is sourced from PubChem (CID 116973196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).