(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate

C13H15N5O3 — CID 166366138

IUPAC(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
SMILESCc1cc(=O)c(COC(=O)C2CCCc3ncnn32)n[nH]1
InChIInChI=1S/C13H15N5O3/c1-8-5-11(19)9(17-16-8)6-21-13(20)10-3-2-4-12-14-7-15-18(10)12/h5,7,10H,2-4,6H2,1H3,(H,16,19)
InChIKeyQEJSUDZNZRLYHI-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.29
Rot. Bonds3

About (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate

(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate (PubChem CID 166366138) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Name(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
PubChem CID166366138
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
SMILESCc1cc(=O)c(COC(=O)C2CCCc3ncnn32)n[nH]1
InChIInChI=1S/C13H15N5O3/c1-8-5-11(19)9(17-16-8)6-21-13(20)10-3-2-4-12-14-7-15-18(10)12/h5,7,10H,2-4,6H2,1H3,(H,16,19)
InChIKeyQEJSUDZNZRLYHI-UHFFFAOYSA-N
XLogP0.29
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate (CID 166366138) is (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate is Cc1cc(=O)c(COC(=O)C2CCCc3ncnn32)n[nH]1.
What is the InChIKey of (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The InChIKey is QEJSUDZNZRLYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-8-5-11(19)9(17-16-8)6-21-13(20)10-3-2-4-12-14-7-15-18(10)12/h5,7,10H,2-4,6H2,1H3,(H,16,19).
What are the key properties of (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate has a molecular weight of 289.30 g/mol, XLogP of 0.29, 3 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 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 166366138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).