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

C9H10N6O3 — CID 54885235

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCc1ncn[nH]1
InChIInChI=1S/C9H10N6O3/c16-7-1-2-9(18)15(14-7)4-8(17)10-3-6-11-5-12-13-6/h1-2,5H,3-4H2,(H,10,17)(H,14,16)(H,11,12,13)
InChIKeyJAUYWIRGRQBNRM-UHFFFAOYSA-N
MW250.22 g/mol
LogP-2.03
Rot. Bonds4

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 54885235) has the molecular formula C9H10N6O3 and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID54885235
Molecular FormulaC9H10N6O3
Molecular Weight250.22 g/mol
Exact Mass250.08
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCc1ncn[nH]1
InChIInChI=1S/C9H10N6O3/c16-7-1-2-9(18)15(14-7)4-8(17)10-3-6-11-5-12-13-6/h1-2,5H,3-4H2,(H,10,17)(H,14,16)(H,11,12,13)
InChIKeyJAUYWIRGRQBNRM-UHFFFAOYSA-N
XLogP-2.03
TPSA125.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 5-2.03
H-Bond Donors ≤ 53
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-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 54885235) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is O=C(Cn1[nH]c(=O)ccc1=O)NCc1ncn[nH]1.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is JAUYWIRGRQBNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O3/c16-7-1-2-9(18)15(14-7)4-8(17)10-3-6-11-5-12-13-6/h1-2,5H,3-4H2,(H,10,17)(H,14,16)(H,11,12,13).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 250.22 g/mol, XLogP of -2.03, 4 rotatable bonds, 3 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-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 54885235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).