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

C8H13N5O3 — CID 43410665

IUPAC2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H13N5O3/c1-2-3-9-5(14)4-10-6-7(15)11-8(16)13-12-6/h2-4H2,1H3,(H,9,14)(H,10,12)(H2,11,13,15,16)
InChIKeyLQMPQXXNEKCPGG-UHFFFAOYSA-N
MW227.22 g/mol
LogP-1.60
Rot. Bonds5

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

2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-propylacetamide (PubChem CID 43410665) has the molecular formula C8H13N5O3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-propylacetamide
PubChem CID43410665
Molecular FormulaC8H13N5O3
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H13N5O3/c1-2-3-9-5(14)4-10-6-7(15)11-8(16)13-12-6/h2-4H2,1H3,(H,9,14)(H,10,12)(H2,11,13,15,16)
InChIKeyLQMPQXXNEKCPGG-UHFFFAOYSA-N
XLogP-1.60
TPSA119.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.60
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-propylacetamide?
The IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-propylacetamide (CID 43410665) is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-propylacetamide is CCCNC(=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-propylacetamide?
The InChIKey is LQMPQXXNEKCPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O3/c1-2-3-9-5(14)4-10-6-7(15)11-8(16)13-12-6/h2-4H2,1H3,(H,9,14)(H,10,12)(H2,11,13,15,16).
What are the key properties of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-propylacetamide?
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-propylacetamide has a molecular weight of 227.22 g/mol, XLogP of -1.60, 5 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-propylacetamide is sourced from PubChem (CID 43410665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).