6-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one

C12H17N7O3 — CID 941952

IUPAC6-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
SMILESCON(C)c1nc(Oc2ccc(=O)n(C)n2)nc(N(C)C)n1
InChIInChI=1S/C12H17N7O3/c1-17(2)10-13-11(19(4)21-5)15-12(14-10)22-8-6-7-9(20)18(3)16-8/h6-7H,1-5H3
InChIKeyGCJYOZCTODZEQR-UHFFFAOYSA-N
MW307.31 g/mol
LogP-0.18
Rot. Bonds5

About 6-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one

6-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one (PubChem CID 941952) has the molecular formula C12H17N7O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 6-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
PubChem CID941952
Molecular FormulaC12H17N7O3
Molecular Weight307.31 g/mol
Exact Mass307.14
IUPAC Name6-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
SMILESCON(C)c1nc(Oc2ccc(=O)n(C)n2)nc(N(C)C)n1
InChIInChI=1S/C12H17N7O3/c1-17(2)10-13-11(19(4)21-5)15-12(14-10)22-8-6-7-9(20)18(3)16-8/h6-7H,1-5H3
InChIKeyGCJYOZCTODZEQR-UHFFFAOYSA-N
XLogP-0.18
TPSA98.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The IUPAC name of 6-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one (CID 941952) is 6-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one is CON(C)c1nc(Oc2ccc(=O)n(C)n2)nc(N(C)C)n1.
What is the InChIKey of 6-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The InChIKey is GCJYOZCTODZEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O3/c1-17(2)10-13-11(19(4)21-5)15-12(14-10)22-8-6-7-9(20)18(3)16-8/h6-7H,1-5H3.
What are the key properties of 6-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
6-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one has a molecular weight of 307.31 g/mol, XLogP of -0.18, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one is sourced from PubChem (CID 941952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).