2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-methylacetamide

C6H9N5O3 — CID 43410658

IUPAC2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H9N5O3/c1-7-3(12)2-8-4-5(13)9-6(14)11-10-4/h2H2,1H3,(H,7,12)(H,8,10)(H2,9,11,13,14)
InChIKeyYQXDWHYRWJIFCL-UHFFFAOYSA-N
MW199.17 g/mol
LogP-2.38
Rot. Bonds3

About 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-methylacetamide

2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-methylacetamide (PubChem CID 43410658) has the molecular formula C6H9N5O3 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-methylacetamide
PubChem CID43410658
Molecular FormulaC6H9N5O3
Molecular Weight199.17 g/mol
Exact Mass199.07
IUPAC Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H9N5O3/c1-7-3(12)2-8-4-5(13)9-6(14)11-10-4/h2H2,1H3,(H,7,12)(H,8,10)(H2,9,11,13,14)
InChIKeyYQXDWHYRWJIFCL-UHFFFAOYSA-N
XLogP-2.38
TPSA119.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-2.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-methylacetamide?
The IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-methylacetamide (CID 43410658) is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-methylacetamide?
The canonical SMILES for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-methylacetamide is CNC(=O)CNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-methylacetamide?
The InChIKey is YQXDWHYRWJIFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O3/c1-7-3(12)2-8-4-5(13)9-6(14)11-10-4/h2H2,1H3,(H,7,12)(H,8,10)(H2,9,11,13,14).
What are the key properties of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-methylacetamide?
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-methylacetamide has a molecular weight of 199.17 g/mol, XLogP of -2.38, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-methylacetamide is sourced from PubChem (CID 43410658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).