N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C20H27N5 — CID 112843796

IUPACN-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCC(C)c1ccc(C(Nc2ccc3nnc(C)n3n2)C(C)C)cc1
InChIInChI=1S/C20H27N5/c1-6-14(4)16-7-9-17(10-8-16)20(13(2)3)21-18-11-12-19-23-22-15(5)25(19)24-18/h7-14,20H,6H2,1-5H3,(H,21,24)
InChIKeyAWBKTVKYGWJANE-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.76
Rot. Bonds6

About N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 112843796) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID112843796
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC NameN-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCC(C)c1ccc(C(Nc2ccc3nnc(C)n3n2)C(C)C)cc1
InChIInChI=1S/C20H27N5/c1-6-14(4)16-7-9-17(10-8-16)20(13(2)3)21-18-11-12-19-23-22-15(5)25(19)24-18/h7-14,20H,6H2,1-5H3,(H,21,24)
InChIKeyAWBKTVKYGWJANE-UHFFFAOYSA-N
XLogP4.76
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 112843796) is N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCC(C)c1ccc(C(Nc2ccc3nnc(C)n3n2)C(C)C)cc1.
What is the InChIKey of N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is AWBKTVKYGWJANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5/c1-6-14(4)16-7-9-17(10-8-16)20(13(2)3)21-18-11-12-19-23-22-15(5)25(19)24-18/h7-14,20H,6H2,1-5H3,(H,21,24).
What are the key properties of N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 337.47 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 112843796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).