6-[[4-(tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one

C15H23N7O2 — CID 1092649

IUPAC6-[[4-(tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
SMILESCC(C)Nc1nc(NC(C)(C)C)nc(Oc2ccc(=O)n(C)n2)n1
InChIInChI=1S/C15H23N7O2/c1-9(2)16-12-17-13(20-15(3,4)5)19-14(18-12)24-10-7-8-11(23)22(6)21-10/h7-9H,1-6H3,(H2,16,17,18,19,20)
InChIKeyMISLQWFHOYXZAS-UHFFFAOYSA-N
MW333.40 g/mol
LogP1.79
Rot. Bonds5

About 6-[[4-(tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one

6-[[4-(tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one (PubChem CID 1092649) has the molecular formula C15H23N7O2 and a molecular weight of 333.40 g/mol. Its IUPAC name is 6-[[4-(tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[[4-(tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
PubChem CID1092649
Molecular FormulaC15H23N7O2
Molecular Weight333.40 g/mol
Exact Mass333.19
IUPAC Name6-[[4-(tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
SMILESCC(C)Nc1nc(NC(C)(C)C)nc(Oc2ccc(=O)n(C)n2)n1
InChIInChI=1S/C15H23N7O2/c1-9(2)16-12-17-13(20-15(3,4)5)19-14(18-12)24-10-7-8-11(23)22(6)21-10/h7-9H,1-6H3,(H2,16,17,18,19,20)
InChIKeyMISLQWFHOYXZAS-UHFFFAOYSA-N
XLogP1.79
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[[4-(tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-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-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The IUPAC name of 6-[[4-(tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one (CID 1092649) is 6-[[4-(tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[[4-(tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[[4-(tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one is CC(C)Nc1nc(NC(C)(C)C)nc(Oc2ccc(=O)n(C)n2)n1.
What is the InChIKey of 6-[[4-(tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The InChIKey is MISLQWFHOYXZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O2/c1-9(2)16-12-17-13(20-15(3,4)5)19-14(18-12)24-10-7-8-11(23)22(6)21-10/h7-9H,1-6H3,(H2,16,17,18,19,20).
What are the key properties of 6-[[4-(tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
6-[[4-(tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one has a molecular weight of 333.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one is sourced from PubChem (CID 1092649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).