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

C14H16N6O — CID 134811064

IUPAC3-(5-methoxy-2-pyridinyl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOc1ccc(-c2nnc3ccc(NC(C)C)nn23)nc1
InChIInChI=1S/C14H16N6O/c1-9(2)16-12-6-7-13-17-18-14(20(13)19-12)11-5-4-10(21-3)8-15-11/h4-9H,1-3H3,(H,16,19)
InChIKeyZYXPZCWKKDSXBZ-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.02
Rot. Bonds4

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

3-(5-methoxy-2-pyridinyl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 134811064) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-(5-methoxy-2-pyridinyl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(5-methoxy-2-pyridinyl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID134811064
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name3-(5-methoxy-2-pyridinyl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOc1ccc(-c2nnc3ccc(NC(C)C)nn23)nc1
InChIInChI=1S/C14H16N6O/c1-9(2)16-12-6-7-13-17-18-14(20(13)19-12)11-5-4-10(21-3)8-15-11/h4-9H,1-3H3,(H,16,19)
InChIKeyZYXPZCWKKDSXBZ-UHFFFAOYSA-N
XLogP2.02
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.02
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-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-(5-methoxy-2-pyridinyl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 134811064) is 3-(5-methoxy-2-pyridinyl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-(5-methoxy-2-pyridinyl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-(5-methoxy-2-pyridinyl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is COc1ccc(-c2nnc3ccc(NC(C)C)nn23)nc1.
What is the InChIKey of 3-(5-methoxy-2-pyridinyl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is ZYXPZCWKKDSXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-9(2)16-12-6-7-13-17-18-14(20(13)19-12)11-5-4-10(21-3)8-15-11/h4-9H,1-3H3,(H,16,19).
What are the key properties of 3-(5-methoxy-2-pyridinyl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-(5-methoxy-2-pyridinyl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 284.32 g/mol, XLogP of 2.02, 4 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-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 134811064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).