2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide

C20H24N6O2 — CID 166648236

IUPAC2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide
SMILESCC1CC=C(c2ccc(=O)n(CC(=O)NC3C=Cc4ncnn4C3C)n2)CC1
InChIInChI=1S/C20H24N6O2/c1-13-3-5-15(6-4-13)17-8-10-20(28)25(24-17)11-19(27)23-16-7-9-18-21-12-22-26(18)14(16)2/h5,7-10,12-14,16H,3-4,6,11H2,1-2H3,(H,23,27)
InChIKeyLMKIGYVLFUFOAH-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.81
Rot. Bonds4

About 2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide

2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide (PubChem CID 166648236) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide.

Molecular Properties

Compound Name2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide
PubChem CID166648236
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide
SMILESCC1CC=C(c2ccc(=O)n(CC(=O)NC3C=Cc4ncnn4C3C)n2)CC1
InChIInChI=1S/C20H24N6O2/c1-13-3-5-15(6-4-13)17-8-10-20(28)25(24-17)11-19(27)23-16-7-9-18-21-12-22-26(18)14(16)2/h5,7-10,12-14,16H,3-4,6,11H2,1-2H3,(H,23,27)
InChIKeyLMKIGYVLFUFOAH-UHFFFAOYSA-N
XLogP1.81
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide?
The IUPAC name of 2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide (CID 166648236) is 2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide.
What is the SMILES notation for 2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide?
The canonical SMILES for 2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide is CC1CC=C(c2ccc(=O)n(CC(=O)NC3C=Cc4ncnn4C3C)n2)CC1.
What is the InChIKey of 2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide?
The InChIKey is LMKIGYVLFUFOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-13-3-5-15(6-4-13)17-8-10-20(28)25(24-17)11-19(27)23-16-7-9-18-21-12-22-26(18)14(16)2/h5,7-10,12-14,16H,3-4,6,11H2,1-2H3,(H,23,27).
What are the key properties of 2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide?
2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide has a molecular weight of 380.45 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide is sourced from PubChem (CID 166648236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).