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

C8H13N5O3 — CID 828113

IUPAC3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H13N5O3/c1-13(2)5(14)3-4-9-6-7(15)10-8(16)12-11-6/h3-4H2,1-2H3,(H,9,11)(H2,10,12,15,16)
InChIKeyJNJQFPYYYLRIJQ-UHFFFAOYSA-N
MW227.22 g/mol
LogP-1.65
Rot. Bonds4

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

3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N,N-dimethylpropanamide (PubChem CID 828113) has the molecular formula C8H13N5O3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N,N-dimethylpropanamide
PubChem CID828113
Molecular FormulaC8H13N5O3
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC Name3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H13N5O3/c1-13(2)5(14)3-4-9-6-7(15)10-8(16)12-11-6/h3-4H2,1-2H3,(H,9,11)(H2,10,12,15,16)
InChIKeyJNJQFPYYYLRIJQ-UHFFFAOYSA-N
XLogP-1.65
TPSA110.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N,N-dimethylpropanamide (CID 828113) is 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is JNJQFPYYYLRIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O3/c1-13(2)5(14)3-4-9-6-7(15)10-8(16)12-11-6/h3-4H2,1-2H3,(H,9,11)(H2,10,12,15,16).
What are the key properties of 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N,N-dimethylpropanamide?
3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 227.22 g/mol, XLogP of -1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 828113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).