N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C13H13N5 — CID 5308442

IUPACN-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESc1ccc(CCNc2ccc3nncn3n2)cc1
InChIInChI=1S/C13H13N5/c1-2-4-11(5-3-1)8-9-14-12-6-7-13-16-15-10-18(13)17-12/h1-7,10H,8-9H2,(H,14,17)
InChIKeyLVLIMPYYRIAXBX-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.78
Rot. Bonds4

About N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 5308442) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID5308442
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC NameN-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESc1ccc(CCNc2ccc3nncn3n2)cc1
InChIInChI=1S/C13H13N5/c1-2-4-11(5-3-1)8-9-14-12-6-7-13-16-15-10-18(13)17-12/h1-7,10H,8-9H2,(H,14,17)
InChIKeyLVLIMPYYRIAXBX-UHFFFAOYSA-N
XLogP1.78
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 5308442) is N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is c1ccc(CCNc2ccc3nncn3n2)cc1.
What is the InChIKey of N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is LVLIMPYYRIAXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-2-4-11(5-3-1)8-9-14-12-6-7-13-16-15-10-18(13)17-12/h1-7,10H,8-9H2,(H,14,17).
What are the key properties of N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 239.28 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 5308442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).