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

C12H16N6O3 — CID 4919583

IUPAC3-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCOc1nc(NCC(C)C)nc(Oc2ccc(=O)[nH]n2)n1
InChIInChI=1S/C12H16N6O3/c1-7(2)6-13-10-14-11(20-3)16-12(15-10)21-9-5-4-8(19)17-18-9/h4-5,7H,6H2,1-3H3,(H,17,19)(H,13,14,15,16)
InChIKeyGTZHYQWYMFCKKB-UHFFFAOYSA-N
MW292.30 g/mol
LogP0.82
Rot. Bonds6

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

3-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (PubChem CID 4919583) has the molecular formula C12H16N6O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is 3-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
PubChem CID4919583
Molecular FormulaC12H16N6O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC Name3-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCOc1nc(NCC(C)C)nc(Oc2ccc(=O)[nH]n2)n1
InChIInChI=1S/C12H16N6O3/c1-7(2)6-13-10-14-11(20-3)16-12(15-10)21-9-5-4-8(19)17-18-9/h4-5,7H,6H2,1-3H3,(H,17,19)(H,13,14,15,16)
InChIKeyGTZHYQWYMFCKKB-UHFFFAOYSA-N
XLogP0.82
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The IUPAC name of 3-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (CID 4919583) is 3-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The canonical SMILES for 3-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is COc1nc(NCC(C)C)nc(Oc2ccc(=O)[nH]n2)n1.
What is the InChIKey of 3-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The InChIKey is GTZHYQWYMFCKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3/c1-7(2)6-13-10-14-11(20-3)16-12(15-10)21-9-5-4-8(19)17-18-9/h4-5,7H,6H2,1-3H3,(H,17,19)(H,13,14,15,16).
What are the key properties of 3-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
3-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one has a molecular weight of 292.30 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-methoxy-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is sourced from PubChem (CID 4919583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).