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

C14H15N5 — CID 62042167

IUPAC4-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]aniline
SMILESCc1ccc(NCc2nnc3ccc(C)nn23)cc1
InChIInChI=1S/C14H15N5/c1-10-3-6-12(7-4-10)15-9-14-17-16-13-8-5-11(2)18-19(13)14/h3-8,15H,9H2,1-2H3
InChIKeyWDMGGYMEOCQRIA-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.35
Rot. Bonds3

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

4-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]aniline (PubChem CID 62042167) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]aniline
PubChem CID62042167
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name4-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]aniline
SMILESCc1ccc(NCc2nnc3ccc(C)nn23)cc1
InChIInChI=1S/C14H15N5/c1-10-3-6-12(7-4-10)15-9-14-17-16-13-8-5-11(2)18-19(13)14/h3-8,15H,9H2,1-2H3
InChIKeyWDMGGYMEOCQRIA-UHFFFAOYSA-N
XLogP2.35
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine
CID 62043689
4-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]aniline
CID 55108086
N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]phenyl]acetamide
CID 59338939
N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-2,2-diphenylacetamide
CID 99792576
2-methyl-N-[2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]aniline
CID 62042375
N-ethyl-2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-2-amine
CID 62819560
5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)pentan-1-amine
CID 62043687
2-ethyl-2-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]butanoic acid
CID 62873848
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methylaniline
CID 54920883
2,3-dimethyl-2-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]butanoic acid
CID 62875836
2,2-dimethyl-1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine
CID 62041295
[1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]triazol-4-yl]methanamine
CID 113313955

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]aniline?
The IUPAC name of 4-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]aniline (CID 62042167) is 4-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]aniline.
What is the SMILES notation for 4-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]aniline?
The canonical SMILES for 4-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]aniline is Cc1ccc(NCc2nnc3ccc(C)nn23)cc1.
What is the InChIKey of 4-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]aniline?
The InChIKey is WDMGGYMEOCQRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-10-3-6-12(7-4-10)15-9-14-17-16-13-8-5-11(2)18-19(13)14/h3-8,15H,9H2,1-2H3.
What are the key properties of 4-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]aniline?
4-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]aniline has a molecular weight of 253.31 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]aniline is sourced from PubChem (CID 62042167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).