2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide

C11H14N6O3 — CID 64510050

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCc1nc(CN(C)C(=O)Cn2[nH]c(=O)ccc2=O)n[nH]1
InChIInChI=1S/C11H14N6O3/c1-7-12-8(14-13-7)5-16(2)11(20)6-17-10(19)4-3-9(18)15-17/h3-4H,5-6H2,1-2H3,(H,15,18)(H,12,13,14)
InChIKeyVLKAFCADROZOBP-UHFFFAOYSA-N
MW278.27 g/mol
LogP-1.38
Rot. Bonds4

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 64510050) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID64510050
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCc1nc(CN(C)C(=O)Cn2[nH]c(=O)ccc2=O)n[nH]1
InChIInChI=1S/C11H14N6O3/c1-7-12-8(14-13-7)5-16(2)11(20)6-17-10(19)4-3-9(18)15-17/h3-4H,5-6H2,1-2H3,(H,15,18)(H,12,13,14)
InChIKeyVLKAFCADROZOBP-UHFFFAOYSA-N
XLogP-1.38
TPSA116.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide (CID 64510050) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide is Cc1nc(CN(C)C(=O)Cn2[nH]c(=O)ccc2=O)n[nH]1.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is VLKAFCADROZOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-7-12-8(14-13-7)5-16(2)11(20)6-17-10(19)4-3-9(18)15-17/h3-4H,5-6H2,1-2H3,(H,15,18)(H,12,13,14).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 278.27 g/mol, XLogP of -1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 64510050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).