2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]propanamide

C8H13N5O3 — CID 43411262

IUPAC2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]propanamide
SMILESCC(Nc1nn(C)c(=O)n(C)c1=O)C(N)=O
InChIInChI=1S/C8H13N5O3/c1-4(5(9)14)10-6-7(15)12(2)8(16)13(3)11-6/h4H,1-3H3,(H2,9,14)(H,10,11)
InChIKeyRVUJZHDFZNBBFZ-UHFFFAOYSA-N
MW227.22 g/mol
LogP-2.24
Rot. Bonds3

About 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]propanamide

2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]propanamide (PubChem CID 43411262) has the molecular formula C8H13N5O3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]propanamide
PubChem CID43411262
Molecular FormulaC8H13N5O3
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC Name2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]propanamide
SMILESCC(Nc1nn(C)c(=O)n(C)c1=O)C(N)=O
InChIInChI=1S/C8H13N5O3/c1-4(5(9)14)10-6-7(15)12(2)8(16)13(3)11-6/h4H,1-3H3,(H2,9,14)(H,10,11)
InChIKeyRVUJZHDFZNBBFZ-UHFFFAOYSA-N
XLogP-2.24
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-2.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]propanamide?
The IUPAC name of 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]propanamide (CID 43411262) is 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]propanamide.
What is the SMILES notation for 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]propanamide?
The canonical SMILES for 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]propanamide is CC(Nc1nn(C)c(=O)n(C)c1=O)C(N)=O.
What is the InChIKey of 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]propanamide?
The InChIKey is RVUJZHDFZNBBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O3/c1-4(5(9)14)10-6-7(15)12(2)8(16)13(3)11-6/h4H,1-3H3,(H2,9,14)(H,10,11).
What are the key properties of 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]propanamide?
2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]propanamide has a molecular weight of 227.22 g/mol, XLogP of -2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]propanamide is sourced from PubChem (CID 43411262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).