N-(1-benzofuran-2-ylmethyl)-3-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C19H21N5O — CID 133492279

IUPACN-(1-benzofuran-2-ylmethyl)-3-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCN(Cc1cc2ccccc2o1)c1ccc2nnc(C(C)(C)C)n2n1
InChIInChI=1S/C19H21N5O/c1-19(2,3)18-21-20-16-9-10-17(22-24(16)18)23(4)12-14-11-13-7-5-6-8-15(13)25-14/h5-11H,12H2,1-4H3
InChIKeyUEPQMAHYKFGZMO-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.80
Rot. Bonds3

About N-(1-benzofuran-2-ylmethyl)-3-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-(1-benzofuran-2-ylmethyl)-3-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133492279) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-3-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-3-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133492279
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-(1-benzofuran-2-ylmethyl)-3-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCN(Cc1cc2ccccc2o1)c1ccc2nnc(C(C)(C)C)n2n1
InChIInChI=1S/C19H21N5O/c1-19(2,3)18-21-20-16-9-10-17(22-24(16)18)23(4)12-14-11-13-7-5-6-8-15(13)25-14/h5-11H,12H2,1-4H3
InChIKeyUEPQMAHYKFGZMO-UHFFFAOYSA-N
XLogP3.80
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-3-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-3-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133492279) is N-(1-benzofuran-2-ylmethyl)-3-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-3-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-3-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CN(Cc1cc2ccccc2o1)c1ccc2nnc(C(C)(C)C)n2n1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-3-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is UEPQMAHYKFGZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-19(2,3)18-21-20-16-9-10-17(22-24(16)18)23(4)12-14-11-13-7-5-6-8-15(13)25-14/h5-11H,12H2,1-4H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-3-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(1-benzofuran-2-ylmethyl)-3-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 335.41 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-3-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133492279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).