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

C12H11N5 — CID 103294035

IUPAC4-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline
SMILESCc1ccc(N)c(-c2nnc3cccnn23)c1
InChIInChI=1S/C12H11N5/c1-8-4-5-10(13)9(7-8)12-16-15-11-3-2-6-14-17(11)12/h2-7H,13H2,1H3
InChIKeyZJCFTCZWCOLGGD-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.68
Rot. Bonds1

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

4-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline (PubChem CID 103294035) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline.

Molecular Properties

Compound Name4-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline
PubChem CID103294035
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Name4-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline
SMILESCc1ccc(N)c(-c2nnc3cccnn23)c1
InChIInChI=1S/C12H11N5/c1-8-4-5-10(13)9(7-8)12-16-15-11-3-2-6-14-17(11)12/h2-7H,13H2,1H3
InChIKeyZJCFTCZWCOLGGD-UHFFFAOYSA-N
XLogP1.68
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline with MolForge

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

Launch Full Analysis

Related Compounds

5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)benzene-1,3-diamine
CID 114003761
2-bromo-6-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline
CID 103294077
2-chloro-6-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline
CID 107050425
2-nitro-4-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline
CID 103293855
5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)pyridin-3-amine
CID 103294017
4-methyl-5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazol-2-amine
CID 103293858
2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-4-methylaniline
CID 61378609
2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-4-methylaniline
CID 61362386
2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-4-methylaniline
CID 65456225
4-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 24697491
3-iodo-[1,2,4]triazolo[4,3-b]pyridazine
CID 83382808
4-methyl-2-(1-propan-2-yltetrazol-5-yl)aniline
CID 65455458

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline?
The IUPAC name of 4-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline (CID 103294035) is 4-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline.
What is the SMILES notation for 4-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline?
The canonical SMILES for 4-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline is Cc1ccc(N)c(-c2nnc3cccnn23)c1.
What is the InChIKey of 4-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline?
The InChIKey is ZJCFTCZWCOLGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-8-4-5-10(13)9(7-8)12-16-15-11-3-2-6-14-17(11)12/h2-7H,13H2,1H3.
What are the key properties of 4-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline?
4-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline has a molecular weight of 225.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline is sourced from PubChem (CID 103294035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).