(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 2-(1-methyltriazol-4-yl)acetate

C11H13N5O3 — CID 166337149

IUPAC(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 2-(1-methyltriazol-4-yl)acetate
SMILESCc1cc(=O)c(COC(=O)Cc2cn(C)nn2)n[nH]1
InChIInChI=1S/C11H13N5O3/c1-7-3-10(17)9(14-12-7)6-19-11(18)4-8-5-16(2)15-13-8/h3,5H,4,6H2,1-2H3,(H,12,17)
InChIKeyQSCFZIIUCXDXQI-UHFFFAOYSA-N
MW263.26 g/mol
LogP-0.51
Rot. Bonds4

About (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 2-(1-methyltriazol-4-yl)acetate

(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 2-(1-methyltriazol-4-yl)acetate (PubChem CID 166337149) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 2-(1-methyltriazol-4-yl)acetate.

Molecular Properties

Compound Name(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 2-(1-methyltriazol-4-yl)acetate
PubChem CID166337149
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 2-(1-methyltriazol-4-yl)acetate
SMILESCc1cc(=O)c(COC(=O)Cc2cn(C)nn2)n[nH]1
InChIInChI=1S/C11H13N5O3/c1-7-3-10(17)9(14-12-7)6-19-11(18)4-8-5-16(2)15-13-8/h3,5H,4,6H2,1-2H3,(H,12,17)
InChIKeyQSCFZIIUCXDXQI-UHFFFAOYSA-N
XLogP-0.51
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 2-(1-methyltriazol-4-yl)acetate?
The IUPAC name of (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 2-(1-methyltriazol-4-yl)acetate (CID 166337149) is (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 2-(1-methyltriazol-4-yl)acetate.
What is the SMILES notation for (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 2-(1-methyltriazol-4-yl)acetate?
The canonical SMILES for (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 2-(1-methyltriazol-4-yl)acetate is Cc1cc(=O)c(COC(=O)Cc2cn(C)nn2)n[nH]1.
What is the InChIKey of (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 2-(1-methyltriazol-4-yl)acetate?
The InChIKey is QSCFZIIUCXDXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-7-3-10(17)9(14-12-7)6-19-11(18)4-8-5-16(2)15-13-8/h3,5H,4,6H2,1-2H3,(H,12,17).
What are the key properties of (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 2-(1-methyltriazol-4-yl)acetate?
(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 2-(1-methyltriazol-4-yl)acetate has a molecular weight of 263.26 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 2-(1-methyltriazol-4-yl)acetate is sourced from PubChem (CID 166337149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).