3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one

C11H15N7O2 — CID 703976

IUPAC3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCN(C)c1nc(Oc2ccc(=O)[nH]n2)nc(N(C)C)n1
InChIInChI=1S/C11H15N7O2/c1-17(2)9-12-10(18(3)4)14-11(13-9)20-8-6-5-7(19)15-16-8/h5-6H,1-4H3,(H,15,19)
InChIKeySKPQZFJWNMNPKF-UHFFFAOYSA-N
MW277.29 g/mol
LogP-0.12
Rot. Bonds4

About 3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one

3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (PubChem CID 703976) has the molecular formula C11H15N7O2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
PubChem CID703976
Molecular FormulaC11H15N7O2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCN(C)c1nc(Oc2ccc(=O)[nH]n2)nc(N(C)C)n1
InChIInChI=1S/C11H15N7O2/c1-17(2)9-12-10(18(3)4)14-11(13-9)20-8-6-5-7(19)15-16-8/h5-6H,1-4H3,(H,15,19)
InChIKeySKPQZFJWNMNPKF-UHFFFAOYSA-N
XLogP-0.12
TPSA100.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-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 3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The IUPAC name of 3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (CID 703976) is 3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The canonical SMILES for 3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is CN(C)c1nc(Oc2ccc(=O)[nH]n2)nc(N(C)C)n1.
What is the InChIKey of 3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The InChIKey is SKPQZFJWNMNPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O2/c1-17(2)9-12-10(18(3)4)14-11(13-9)20-8-6-5-7(19)15-16-8/h5-6H,1-4H3,(H,15,19).
What are the key properties of 3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one has a molecular weight of 277.29 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is sourced from PubChem (CID 703976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).