6-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one

C17H17ClN6O2 — CID 3152230

IUPAC6-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one
SMILESCC(C)(C)Nc1nc(Cl)nc(Oc2ccc(=O)n(-c3ccccc3)n2)n1
InChIInChI=1S/C17H17ClN6O2/c1-17(2,3)22-15-19-14(18)20-16(21-15)26-12-9-10-13(25)24(23-12)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,19,20,21,22)
InChIKeyGXXJXXLKODSSRT-UHFFFAOYSA-N
MW372.82 g/mol
LogP3.07
Rot. Bonds4

About 6-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one

6-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one (PubChem CID 3152230) has the molecular formula C17H17ClN6O2 and a molecular weight of 372.82 g/mol. Its IUPAC name is 6-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one
PubChem CID3152230
Molecular FormulaC17H17ClN6O2
Molecular Weight372.82 g/mol
Exact Mass372.11
IUPAC Name6-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one
SMILESCC(C)(C)Nc1nc(Cl)nc(Oc2ccc(=O)n(-c3ccccc3)n2)n1
InChIInChI=1S/C17H17ClN6O2/c1-17(2,3)22-15-19-14(18)20-16(21-15)26-12-9-10-13(25)24(23-12)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,19,20,21,22)
InChIKeyGXXJXXLKODSSRT-UHFFFAOYSA-N
XLogP3.07
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one 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 6-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one?
The IUPAC name of 6-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one (CID 3152230) is 6-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one.
What is the SMILES notation for 6-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one?
The canonical SMILES for 6-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one is CC(C)(C)Nc1nc(Cl)nc(Oc2ccc(=O)n(-c3ccccc3)n2)n1.
What is the InChIKey of 6-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one?
The InChIKey is GXXJXXLKODSSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O2/c1-17(2,3)22-15-19-14(18)20-16(21-15)26-12-9-10-13(25)24(23-12)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,19,20,21,22).
What are the key properties of 6-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one?
6-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one has a molecular weight of 372.82 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one is sourced from PubChem (CID 3152230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).