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

C10H17N5O3 — CID 43410503

IUPAC2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H17N5O3/c1-4-5-11-7(16)6-12-8-9(17)14(2)10(18)15(3)13-8/h4-6H2,1-3H3,(H,11,16)(H,12,13)
InChIKeyGOAIRCDZYISYIP-UHFFFAOYSA-N
MW255.28 g/mol
LogP-1.58
Rot. Bonds5

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

2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]-N-propylacetamide (PubChem CID 43410503) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]-N-propylacetamide
PubChem CID43410503
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H17N5O3/c1-4-5-11-7(16)6-12-8-9(17)14(2)10(18)15(3)13-8/h4-6H2,1-3H3,(H,11,16)(H,12,13)
InChIKeyGOAIRCDZYISYIP-UHFFFAOYSA-N
XLogP-1.58
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-1.58
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]-N-propylacetamide?
The IUPAC name of 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]-N-propylacetamide (CID 43410503) is 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]-N-propylacetamide is CCCNC(=O)CNc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]-N-propylacetamide?
The InChIKey is GOAIRCDZYISYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-4-5-11-7(16)6-12-8-9(17)14(2)10(18)15(3)13-8/h4-6H2,1-3H3,(H,11,16)(H,12,13).
What are the key properties of 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]-N-propylacetamide?
2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]-N-propylacetamide has a molecular weight of 255.28 g/mol, XLogP of -1.58, 5 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]-N-propylacetamide is sourced from PubChem (CID 43410503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).