N,3-dimethyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

C16H16N8O — CID 75201818

IUPACN,3-dimethyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCNc1cc(-c2cn(C)nc2Oc2ccccn2)nn2c(C)nnc12
InChIInChI=1S/C16H16N8O/c1-10-19-20-15-13(17-2)8-12(21-24(10)15)11-9-23(3)22-16(11)25-14-6-4-5-7-18-14/h4-9,17H,1-3H3
InChIKeyLUOSMBCXHFHGQV-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.06
Rot. Bonds4

About N,3-dimethyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

N,3-dimethyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 75201818) has the molecular formula C16H16N8O and a molecular weight of 336.36 g/mol. Its IUPAC name is N,3-dimethyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound NameN,3-dimethyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID75201818
Molecular FormulaC16H16N8O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC NameN,3-dimethyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCNc1cc(-c2cn(C)nc2Oc2ccccn2)nn2c(C)nnc12
InChIInChI=1S/C16H16N8O/c1-10-19-20-15-13(17-2)8-12(21-24(10)15)11-9-23(3)22-16(11)25-14-6-4-5-7-18-14/h4-9,17H,1-3H3
InChIKeyLUOSMBCXHFHGQV-UHFFFAOYSA-N
XLogP2.06
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of N,3-dimethyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 75201818) is N,3-dimethyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.
What is the SMILES notation for N,3-dimethyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for N,3-dimethyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is CNc1cc(-c2cn(C)nc2Oc2ccccn2)nn2c(C)nnc12.
What is the InChIKey of N,3-dimethyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is LUOSMBCXHFHGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8O/c1-10-19-20-15-13(17-2)8-12(21-24(10)15)11-9-23(3)22-16(11)25-14-6-4-5-7-18-14/h4-9,17H,1-3H3.
What are the key properties of N,3-dimethyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
N,3-dimethyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 336.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 75201818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).