N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C19H26N6OS — CID 133488984

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC1CN(C(C)(C)CNc2ccc3nnc(-c4ccsc4)n3n2)CC(C)O1
InChIInChI=1S/C19H26N6OS/c1-13-9-24(10-14(2)26-13)19(3,4)12-20-16-5-6-17-21-22-18(25(17)23-16)15-7-8-27-11-15/h5-8,11,13-14H,9-10,12H2,1-4H3,(H,20,23)
InChIKeyRLFBSYVTYNIONJ-UHFFFAOYSA-N
MW386.53 g/mol
LogP3.15
Rot. Bonds5

About N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133488984) has the molecular formula C19H26N6OS and a molecular weight of 386.53 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133488984
Molecular FormulaC19H26N6OS
Molecular Weight386.53 g/mol
Exact Mass386.19
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC1CN(C(C)(C)CNc2ccc3nnc(-c4ccsc4)n3n2)CC(C)O1
InChIInChI=1S/C19H26N6OS/c1-13-9-24(10-14(2)26-13)19(3,4)12-20-16-5-6-17-21-22-18(25(17)23-16)15-7-8-27-11-15/h5-8,11,13-14H,9-10,12H2,1-4H3,(H,20,23)
InChIKeyRLFBSYVTYNIONJ-UHFFFAOYSA-N
XLogP3.15
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133488984) is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CC1CN(C(C)(C)CNc2ccc3nnc(-c4ccsc4)n3n2)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is RLFBSYVTYNIONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6OS/c1-13-9-24(10-14(2)26-13)19(3,4)12-20-16-5-6-17-21-22-18(25(17)23-16)15-7-8-27-11-15/h5-8,11,13-14H,9-10,12H2,1-4H3,(H,20,23).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 386.53 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133488984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).