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

C7H11N5O3 — CID 43410655

IUPAC2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H11N5O3/c1-12(2)4(13)3-8-5-6(14)9-7(15)11-10-5/h3H2,1-2H3,(H,8,10)(H2,9,11,14,15)
InChIKeyHIZOHVNUVQGVET-UHFFFAOYSA-N
MW213.20 g/mol
LogP-2.04
Rot. Bonds3

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

2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N,N-dimethylacetamide (PubChem CID 43410655) 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,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N,N-dimethylacetamide
PubChem CID43410655
Molecular FormulaC7H11N5O3
Molecular Weight213.20 g/mol
Exact Mass213.09
IUPAC Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H11N5O3/c1-12(2)4(13)3-8-5-6(14)9-7(15)11-10-5/h3H2,1-2H3,(H,8,10)(H2,9,11,14,15)
InChIKeyHIZOHVNUVQGVET-UHFFFAOYSA-N
XLogP-2.04
TPSA110.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-2.04
H-Bond Donors ≤ 53
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,N-dimethylacetamide?
The IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N,N-dimethylacetamide (CID 43410655) is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N,N-dimethylacetamide is CN(C)C(=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,N-dimethylacetamide?
The InChIKey is HIZOHVNUVQGVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3/c1-12(2)4(13)3-8-5-6(14)9-7(15)11-10-5/h3H2,1-2H3,(H,8,10)(H2,9,11,14,15).
What are the key properties of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N,N-dimethylacetamide?
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N,N-dimethylacetamide has a molecular weight of 213.20 g/mol, XLogP of -2.04, 3 rotatable bonds, 3 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,N-dimethylacetamide is sourced from PubChem (CID 43410655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).