1-[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine

C15H17N5 — CID 82167159

IUPAC1-[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
SMILESCCc1ccc(-c2ccc3nnc(C(C)N)n3n2)cc1
InChIInChI=1S/C15H17N5/c1-3-11-4-6-12(7-5-11)13-8-9-14-17-18-15(10(2)16)20(14)19-13/h4-10H,3,16H2,1-2H3
InChIKeyQPDRAJWIYFDCDN-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.37
Rot. Bonds3

About 1-[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine

1-[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine (PubChem CID 82167159) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
PubChem CID82167159
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name1-[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
SMILESCCc1ccc(-c2ccc3nnc(C(C)N)n3n2)cc1
InChIInChI=1S/C15H17N5/c1-3-11-4-6-12(7-5-11)13-8-9-14-17-18-15(10(2)16)20(14)19-13/h4-10H,3,16H2,1-2H3
InChIKeyQPDRAJWIYFDCDN-UHFFFAOYSA-N
XLogP2.37
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine?
The IUPAC name of 1-[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine (CID 82167159) is 1-[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine.
What is the SMILES notation for 1-[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine?
The canonical SMILES for 1-[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine is CCc1ccc(-c2ccc3nnc(C(C)N)n3n2)cc1.
What is the InChIKey of 1-[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine?
The InChIKey is QPDRAJWIYFDCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-3-11-4-6-12(7-5-11)13-8-9-14-17-18-15(10(2)16)20(14)19-13/h4-10H,3,16H2,1-2H3.
What are the key properties of 1-[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine?
1-[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine has a molecular weight of 267.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine is sourced from PubChem (CID 82167159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).