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

C15H13ClN6O2 — CID 935557

IUPAC6-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one
SMILESCCNc1nc(Cl)nc(Oc2ccc(=O)n(-c3ccccc3)n2)n1
InChIInChI=1S/C15H13ClN6O2/c1-2-17-14-18-13(16)19-15(20-14)24-11-8-9-12(23)22(21-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,17,18,19,20)
InChIKeyASCTZGFIQHLUEU-UHFFFAOYSA-N
MW344.76 g/mol
LogP2.30
Rot. Bonds5

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

6-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one (PubChem CID 935557) has the molecular formula C15H13ClN6O2 and a molecular weight of 344.76 g/mol. Its IUPAC name is 6-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one
PubChem CID935557
Molecular FormulaC15H13ClN6O2
Molecular Weight344.76 g/mol
Exact Mass344.08
IUPAC Name6-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one
SMILESCCNc1nc(Cl)nc(Oc2ccc(=O)n(-c3ccccc3)n2)n1
InChIInChI=1S/C15H13ClN6O2/c1-2-17-14-18-13(16)19-15(20-14)24-11-8-9-12(23)22(21-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,17,18,19,20)
InChIKeyASCTZGFIQHLUEU-UHFFFAOYSA-N
XLogP2.30
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one?
The IUPAC name of 6-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one (CID 935557) is 6-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one.
What is the SMILES notation for 6-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one?
The canonical SMILES for 6-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one is CCNc1nc(Cl)nc(Oc2ccc(=O)n(-c3ccccc3)n2)n1.
What is the InChIKey of 6-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one?
The InChIKey is ASCTZGFIQHLUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6O2/c1-2-17-14-18-13(16)19-15(20-14)24-11-8-9-12(23)22(21-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,17,18,19,20).
What are the key properties of 6-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one?
6-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one has a molecular weight of 344.76 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one is sourced from PubChem (CID 935557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).