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

C15H23N7O2 — CID 1071968

IUPAC6-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one
SMILESCCCn1nc(Oc2nc(NCC)nc(NC(C)C)n2)ccc1=O
InChIInChI=1S/C15H23N7O2/c1-5-9-22-12(23)8-7-11(21-22)24-15-19-13(16-6-2)18-14(20-15)17-10(3)4/h7-8,10H,5-6,9H2,1-4H3,(H2,16,17,18,19,20)
InChIKeyDYBDDLJKORVASF-UHFFFAOYSA-N
MW333.40 g/mol
LogP1.88
Rot. Bonds8

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

6-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one (PubChem CID 1071968) has the molecular formula C15H23N7O2 and a molecular weight of 333.40 g/mol. Its IUPAC name is 6-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one
PubChem CID1071968
Molecular FormulaC15H23N7O2
Molecular Weight333.40 g/mol
Exact Mass333.19
IUPAC Name6-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one
SMILESCCCn1nc(Oc2nc(NCC)nc(NC(C)C)n2)ccc1=O
InChIInChI=1S/C15H23N7O2/c1-5-9-22-12(23)8-7-11(21-22)24-15-19-13(16-6-2)18-14(20-15)17-10(3)4/h7-8,10H,5-6,9H2,1-4H3,(H2,16,17,18,19,20)
InChIKeyDYBDDLJKORVASF-UHFFFAOYSA-N
XLogP1.88
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one?
The IUPAC name of 6-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one (CID 1071968) is 6-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one.
What is the SMILES notation for 6-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one?
The canonical SMILES for 6-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one is CCCn1nc(Oc2nc(NCC)nc(NC(C)C)n2)ccc1=O.
What is the InChIKey of 6-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one?
The InChIKey is DYBDDLJKORVASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O2/c1-5-9-22-12(23)8-7-11(21-22)24-15-19-13(16-6-2)18-14(20-15)17-10(3)4/h7-8,10H,5-6,9H2,1-4H3,(H2,16,17,18,19,20).
What are the key properties of 6-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one?
6-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one has a molecular weight of 333.40 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one is sourced from PubChem (CID 1071968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).