2-methyl-N-[2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]aniline

C15H17N5 — CID 62042375

IUPAC2-methyl-N-[2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]aniline
SMILESCc1ccc2nnc(CCNc3ccccc3C)n2n1
InChIInChI=1S/C15H17N5/c1-11-5-3-4-6-13(11)16-10-9-15-18-17-14-8-7-12(2)19-20(14)15/h3-8,16H,9-10H2,1-2H3
InChIKeyGSWSQRXEUPMXFG-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.40
Rot. Bonds4

About 2-methyl-N-[2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]aniline

2-methyl-N-[2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]aniline (PubChem CID 62042375) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-methyl-N-[2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]aniline
PubChem CID62042375
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name2-methyl-N-[2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]aniline
SMILESCc1ccc2nnc(CCNc3ccccc3C)n2n1
InChIInChI=1S/C15H17N5/c1-11-5-3-4-6-13(11)16-10-9-15-18-17-14-8-7-12(2)19-20(14)15/h3-8,16H,9-10H2,1-2H3
InChIKeyGSWSQRXEUPMXFG-UHFFFAOYSA-N
XLogP2.40
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]aniline?
The IUPAC name of 2-methyl-N-[2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]aniline (CID 62042375) is 2-methyl-N-[2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]aniline.
What is the SMILES notation for 2-methyl-N-[2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]aniline?
The canonical SMILES for 2-methyl-N-[2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]aniline is Cc1ccc2nnc(CCNc3ccccc3C)n2n1.
What is the InChIKey of 2-methyl-N-[2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]aniline?
The InChIKey is GSWSQRXEUPMXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-11-5-3-4-6-13(11)16-10-9-15-18-17-14-8-7-12(2)19-20(14)15/h3-8,16H,9-10H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]aniline?
2-methyl-N-[2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]aniline has a molecular weight of 267.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]aniline is sourced from PubChem (CID 62042375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).