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

C14H21N7O2 — CID 3149148

IUPAC6-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
SMILESCC(C)Nc1nc(NC(C)C)nc(Oc2ccc(=O)n(C)n2)n1
InChIInChI=1S/C14H21N7O2/c1-8(2)15-12-17-13(16-9(3)4)19-14(18-12)23-10-6-7-11(22)21(5)20-10/h6-9H,1-5H3,(H2,15,16,17,18,19)
InChIKeyFEECDOSESTYDCV-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.40
Rot. Bonds6

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

6-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one (PubChem CID 3149148) has the molecular formula C14H21N7O2 and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
PubChem CID3149148
Molecular FormulaC14H21N7O2
Molecular Weight319.37 g/mol
Exact Mass319.18
IUPAC Name6-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
SMILESCC(C)Nc1nc(NC(C)C)nc(Oc2ccc(=O)n(C)n2)n1
InChIInChI=1S/C14H21N7O2/c1-8(2)15-12-17-13(16-9(3)4)19-14(18-12)23-10-6-7-11(22)21(5)20-10/h6-9H,1-5H3,(H2,15,16,17,18,19)
InChIKeyFEECDOSESTYDCV-UHFFFAOYSA-N
XLogP1.40
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[[4,6-bis(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-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The IUPAC name of 6-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one (CID 3149148) is 6-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one is CC(C)Nc1nc(NC(C)C)nc(Oc2ccc(=O)n(C)n2)n1.
What is the InChIKey of 6-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The InChIKey is FEECDOSESTYDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O2/c1-8(2)15-12-17-13(16-9(3)4)19-14(18-12)23-10-6-7-11(22)21(5)20-10/h6-9H,1-5H3,(H2,15,16,17,18,19).
What are the key properties of 6-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
6-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one has a molecular weight of 319.37 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one is sourced from PubChem (CID 3149148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).