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

C10H12N6O3 — CID 64510313

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCN(Cc1ncn[nH]1)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H12N6O3/c1-15(4-7-11-6-12-13-7)10(19)5-16-9(18)3-2-8(17)14-16/h2-3,6H,4-5H2,1H3,(H,14,17)(H,11,12,13)
InChIKeyNTJIHYMQUQBFKB-UHFFFAOYSA-N
MW264.24 g/mol
LogP-1.69
Rot. Bonds4

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 64510313) has the molecular formula C10H12N6O3 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID64510313
Molecular FormulaC10H12N6O3
Molecular Weight264.24 g/mol
Exact Mass264.10
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCN(Cc1ncn[nH]1)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H12N6O3/c1-15(4-7-11-6-12-13-7)10(19)5-16-9(18)3-2-8(17)14-16/h2-3,6H,4-5H2,1H3,(H,14,17)(H,11,12,13)
InChIKeyNTJIHYMQUQBFKB-UHFFFAOYSA-N
XLogP-1.69
TPSA116.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-1.69
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-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 64510313) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is CN(Cc1ncn[nH]1)C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is NTJIHYMQUQBFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3/c1-15(4-7-11-6-12-13-7)10(19)5-16-9(18)3-2-8(17)14-16/h2-3,6H,4-5H2,1H3,(H,14,17)(H,11,12,13).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 264.24 g/mol, XLogP of -1.69, 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-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 64510313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).