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

C7H11N5O3 — CID 43410668

IUPACN-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H11N5O3/c1-4(13)8-2-3-9-5-6(14)10-7(15)12-11-5/h2-3H2,1H3,(H,8,13)(H,9,11)(H2,10,12,14,15)
InChIKeyNKRXLXBSBSLOLL-UHFFFAOYSA-N
MW213.20 g/mol
LogP-1.99
Rot. Bonds4

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

N-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]acetamide (PubChem CID 43410668) has the molecular formula C7H11N5O3 and a molecular weight of 213.20 g/mol. Its IUPAC name is N-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]acetamide
PubChem CID43410668
Molecular FormulaC7H11N5O3
Molecular Weight213.20 g/mol
Exact Mass213.09
IUPAC NameN-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H11N5O3/c1-4(13)8-2-3-9-5-6(14)10-7(15)12-11-5/h2-3H2,1H3,(H,8,13)(H,9,11)(H2,10,12,14,15)
InChIKeyNKRXLXBSBSLOLL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 63227129
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CID 79040964
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CID 79098619
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CID 79099376
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CID 104854500
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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]acetamide (CID 43410668) is N-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]acetamide is CC(=O)NCCNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]acetamide?
The InChIKey is NKRXLXBSBSLOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3/c1-4(13)8-2-3-9-5-6(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 N-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]acetamide?
N-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]acetamide 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 N-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]acetamide is sourced from PubChem (CID 43410668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).