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

C11H13N5O3 — CID 54896427

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
SMILESCc1[nH]ncc1CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H13N5O3/c1-7-8(5-13-14-7)4-12-10(18)6-16-11(19)3-2-9(17)15-16/h2-3,5H,4,6H2,1H3,(H,12,18)(H,13,14)(H,15,17)
InChIKeyQZFBZMYKIBVPMS-UHFFFAOYSA-N
MW263.26 g/mol
LogP-1.12
Rot. Bonds4

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide (PubChem CID 54896427) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
PubChem CID54896427
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
SMILESCc1[nH]ncc1CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H13N5O3/c1-7-8(5-13-14-7)4-12-10(18)6-16-11(19)3-2-9(17)15-16/h2-3,5H,4,6H2,1H3,(H,12,18)(H,13,14)(H,15,17)
InChIKeyQZFBZMYKIBVPMS-UHFFFAOYSA-N
XLogP-1.12
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide (CID 54896427) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide is Cc1[nH]ncc1CNC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The InChIKey is QZFBZMYKIBVPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-7-8(5-13-14-7)4-12-10(18)6-16-11(19)3-2-9(17)15-16/h2-3,5H,4,6H2,1H3,(H,12,18)(H,13,14)(H,15,17).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide has a molecular weight of 263.26 g/mol, XLogP of -1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 54896427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).