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

C15H18N6O — CID 134811242

IUPAC3-(5-methoxy-2-pyridinyl)-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOc1ccc(-c2nnc3ccc(NCC(C)C)nn23)nc1
InChIInChI=1S/C15H18N6O/c1-10(2)8-17-13-6-7-14-18-19-15(21(14)20-13)12-5-4-11(22-3)9-16-12/h4-7,9-10H,8H2,1-3H3,(H,17,20)
InChIKeyDVGZJHLPDFIJHO-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.26
Rot. Bonds5

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

3-(5-methoxy-2-pyridinyl)-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 134811242) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-(5-methoxy-2-pyridinyl)-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(5-methoxy-2-pyridinyl)-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID134811242
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name3-(5-methoxy-2-pyridinyl)-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOc1ccc(-c2nnc3ccc(NCC(C)C)nn23)nc1
InChIInChI=1S/C15H18N6O/c1-10(2)8-17-13-6-7-14-18-19-15(21(14)20-13)12-5-4-11(22-3)9-16-12/h4-7,9-10H,8H2,1-3H3,(H,17,20)
InChIKeyDVGZJHLPDFIJHO-UHFFFAOYSA-N
XLogP2.26
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-2-pyridinyl)-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-(5-methoxy-2-pyridinyl)-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 134811242) is 3-(5-methoxy-2-pyridinyl)-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-(5-methoxy-2-pyridinyl)-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-(5-methoxy-2-pyridinyl)-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is COc1ccc(-c2nnc3ccc(NCC(C)C)nn23)nc1.
What is the InChIKey of 3-(5-methoxy-2-pyridinyl)-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is DVGZJHLPDFIJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-10(2)8-17-13-6-7-14-18-19-15(21(14)20-13)12-5-4-11(22-3)9-16-12/h4-7,9-10H,8H2,1-3H3,(H,17,20).
What are the key properties of 3-(5-methoxy-2-pyridinyl)-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-(5-methoxy-2-pyridinyl)-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 298.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-2-pyridinyl)-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 134811242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).