3-(5-fluoro-2-pyridinyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C14H15FN6O — CID 134811212

IUPAC3-(5-fluoro-2-pyridinyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOCCCNc1ccc2nnc(-c3ccc(F)cn3)n2n1
InChIInChI=1S/C14H15FN6O/c1-22-8-2-7-16-12-5-6-13-18-19-14(21(13)20-12)11-4-3-10(15)9-17-11/h3-6,9H,2,7-8H2,1H3,(H,16,20)
InChIKeyGIQYBFHKBLLCBK-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.77
Rot. Bonds6

About 3-(5-fluoro-2-pyridinyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-(5-fluoro-2-pyridinyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 134811212) has the molecular formula C14H15FN6O and a molecular weight of 302.31 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID134811212
Molecular FormulaC14H15FN6O
Molecular Weight302.31 g/mol
Exact Mass302.13
IUPAC Name3-(5-fluoro-2-pyridinyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOCCCNc1ccc2nnc(-c3ccc(F)cn3)n2n1
InChIInChI=1S/C14H15FN6O/c1-22-8-2-7-16-12-5-6-13-18-19-14(21(13)20-12)11-4-3-10(15)9-17-11/h3-6,9H,2,7-8H2,1H3,(H,16,20)
InChIKeyGIQYBFHKBLLCBK-UHFFFAOYSA-N
XLogP1.77
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 134811212) is 3-(5-fluoro-2-pyridinyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is COCCCNc1ccc2nnc(-c3ccc(F)cn3)n2n1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is GIQYBFHKBLLCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN6O/c1-22-8-2-7-16-12-5-6-13-18-19-14(21(13)20-12)11-4-3-10(15)9-17-11/h3-6,9H,2,7-8H2,1H3,(H,16,20).
What are the key properties of 3-(5-fluoro-2-pyridinyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-(5-fluoro-2-pyridinyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 302.31 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 134811212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).