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

C17H17N7O — CID 75201756

IUPACN,3-dimethyl-6-(1-methyl-3-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCNc1cc(-c2cn(C)nc2Oc2ccccc2)nn2c(C)nnc12
InChIInChI=1S/C17H17N7O/c1-11-19-20-16-15(18-2)9-14(21-24(11)16)13-10-23(3)22-17(13)25-12-7-5-4-6-8-12/h4-10,18H,1-3H3
InChIKeyXYUCPGGCYPZDLR-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.67
Rot. Bonds4

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

N,3-dimethyl-6-(1-methyl-3-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 75201756) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is N,3-dimethyl-6-(1-methyl-3-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound NameN,3-dimethyl-6-(1-methyl-3-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID75201756
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC NameN,3-dimethyl-6-(1-methyl-3-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCNc1cc(-c2cn(C)nc2Oc2ccccc2)nn2c(C)nnc12
InChIInChI=1S/C17H17N7O/c1-11-19-20-16-15(18-2)9-14(21-24(11)16)13-10-23(3)22-17(13)25-12-7-5-4-6-8-12/h4-10,18H,1-3H3
InChIKeyXYUCPGGCYPZDLR-UHFFFAOYSA-N
XLogP2.67
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-6-(1-methyl-3-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of N,3-dimethyl-6-(1-methyl-3-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 75201756) is N,3-dimethyl-6-(1-methyl-3-phenoxypyrazol-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-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for N,3-dimethyl-6-(1-methyl-3-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is CNc1cc(-c2cn(C)nc2Oc2ccccc2)nn2c(C)nnc12.
What is the InChIKey of N,3-dimethyl-6-(1-methyl-3-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is XYUCPGGCYPZDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c1-11-19-20-16-15(18-2)9-14(21-24(11)16)13-10-23(3)22-17(13)25-12-7-5-4-6-8-12/h4-10,18H,1-3H3.
What are the key properties of N,3-dimethyl-6-(1-methyl-3-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
N,3-dimethyl-6-(1-methyl-3-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 335.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-6-(1-methyl-3-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 75201756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).