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

C7H11N5O3 — CID 43410662

IUPAC2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H11N5O3/c1-2-8-4(13)3-9-5-6(14)10-7(15)12-11-5/h2-3H2,1H3,(H,8,13)(H,9,11)(H2,10,12,14,15)
InChIKeyKIWRPLWICHGIML-UHFFFAOYSA-N
MW213.20 g/mol
LogP-1.99
Rot. Bonds4

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

2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-ethylacetamide (PubChem CID 43410662) has the molecular formula C7H11N5O3 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-ethylacetamide
PubChem CID43410662
Molecular FormulaC7H11N5O3
Molecular Weight213.20 g/mol
Exact Mass213.09
IUPAC Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H11N5O3/c1-2-8-4(13)3-9-5-6(14)10-7(15)12-11-5/h2-3H2,1H3,(H,8,13)(H,9,11)(H2,10,12,14,15)
InChIKeyKIWRPLWICHGIML-UHFFFAOYSA-N
XLogP-1.99
TPSA119.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-ethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-ethylacetamide?
The IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-ethylacetamide (CID 43410662) is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-ethylacetamide.
What is the SMILES notation for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-ethylacetamide?
The canonical SMILES for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-ethylacetamide is CCNC(=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-ethylacetamide?
The InChIKey is KIWRPLWICHGIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3/c1-2-8-4(13)3-9-5-6(14)10-7(15)12-11-5/h2-3H2,1H3,(H,8,13)(H,9,11)(H2,10,12,14,15).
What are the key properties of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-ethylacetamide?
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-ethylacetamide has a molecular weight of 213.20 g/mol, XLogP of -1.99, 4 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-ethylacetamide is sourced from PubChem (CID 43410662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).