2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-ethylamino]-N-ethylacetamide

C14H20N6O — CID 133382709

IUPAC2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1ccc2nnc(C3CC3)n2n1
InChIInChI=1S/C14H20N6O/c1-3-15-13(21)9-19(4-2)12-8-7-11-16-17-14(10-5-6-10)20(11)18-12/h7-8,10H,3-6,9H2,1-2H3,(H,15,21)
InChIKeyFPPRIXVAYHYWKU-UHFFFAOYSA-N
MW288.36 g/mol
LogP0.96
Rot. Bonds6

About 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-ethylamino]-N-ethylacetamide

2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-ethylamino]-N-ethylacetamide (PubChem CID 133382709) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-ethylamino]-N-ethylacetamide
PubChem CID133382709
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1ccc2nnc(C3CC3)n2n1
InChIInChI=1S/C14H20N6O/c1-3-15-13(21)9-19(4-2)12-8-7-11-16-17-14(10-5-6-10)20(11)18-12/h7-8,10H,3-6,9H2,1-2H3,(H,15,21)
InChIKeyFPPRIXVAYHYWKU-UHFFFAOYSA-N
XLogP0.96
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-ethylamino]-N-ethylacetamide (CID 133382709) is 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)c1ccc2nnc(C3CC3)n2n1.
What is the InChIKey of 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-ethylamino]-N-ethylacetamide?
The InChIKey is FPPRIXVAYHYWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-3-15-13(21)9-19(4-2)12-8-7-11-16-17-14(10-5-6-10)20(11)18-12/h7-8,10H,3-6,9H2,1-2H3,(H,15,21).
What are the key properties of 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-ethylamino]-N-ethylacetamide?
2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-ethylamino]-N-ethylacetamide has a molecular weight of 288.36 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 133382709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).