2-(ethylamino)-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]butanamide

C11H19N5O3S — CID 107786633

IUPAC2-(ethylamino)-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]butanamide
SMILESCCNC(C)(CCSc1nc(=O)c(=O)[nH]n1C)C(N)=O
InChIInChI=1S/C11H19N5O3S/c1-4-13-11(2,9(12)19)5-6-20-10-14-7(17)8(18)15-16(10)3/h13H,4-6H2,1-3H3,(H2,12,19)(H,15,18)
InChIKeyARDGCQAZSYMJDX-UHFFFAOYSA-N
MW301.37 g/mol
LogP-1.20
Rot. Bonds7

About 2-(ethylamino)-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]butanamide

2-(ethylamino)-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]butanamide (PubChem CID 107786633) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]butanamide.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]butanamide
PubChem CID107786633
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC Name2-(ethylamino)-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]butanamide
SMILESCCNC(C)(CCSc1nc(=O)c(=O)[nH]n1C)C(N)=O
InChIInChI=1S/C11H19N5O3S/c1-4-13-11(2,9(12)19)5-6-20-10-14-7(17)8(18)15-16(10)3/h13H,4-6H2,1-3H3,(H2,12,19)(H,15,18)
InChIKeyARDGCQAZSYMJDX-UHFFFAOYSA-N
XLogP-1.20
TPSA122.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(ethylamino)-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]butanamide with MolForge

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Related Compounds

2-methyl-3-[3-(2-methylpropylamino)propylsulfanyl]-1H-1,2,4-triazine-5,6-dione
CID 107784389
3-[3-(ethylamino)propylsulfanyl]-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107784390
3-[2-(ethylamino)propylsulfanyl]-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107784398
2-methyl-3-[4-(propylamino)pentan-2-ylsulfanyl]-1H-1,2,4-triazine-5,6-dione
CID 107784414
2-methyl-3-[3-(propylamino)butylsulfanyl]-1H-1,2,4-triazine-5,6-dione
CID 107784416
3-[2-(ethylamino)-3-methylpentyl]sulfanyl-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107784419
2-methyl-3-[2-(propylamino)propylsulfanyl]-1H-1,2,4-triazine-5,6-dione
CID 107784434
2-methyl-3-[2-(propylamino)ethylsulfanyl]-1H-1,2,4-triazine-5,6-dione
CID 107784443
2-methyl-3-[3-methyl-2-(propylamino)butyl]sulfanyl-1H-1,2,4-triazine-5,6-dione
CID 107784456
3-[3,3-dimethyl-2-(methylamino)butyl]sulfanyl-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107784462
3-[2-(ethylamino)-3,3-dimethylbutyl]sulfanyl-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107784471
2-methyl-3-[3-(propylamino)propylsulfanyl]-1H-1,2,4-triazine-5,6-dione
CID 107784480

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]butanamide?
The IUPAC name of 2-(ethylamino)-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]butanamide (CID 107786633) is 2-(ethylamino)-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]butanamide.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]butanamide?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]butanamide is CCNC(C)(CCSc1nc(=O)c(=O)[nH]n1C)C(N)=O.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]butanamide?
The InChIKey is ARDGCQAZSYMJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-4-13-11(2,9(12)19)5-6-20-10-14-7(17)8(18)15-16(10)3/h13H,4-6H2,1-3H3,(H2,12,19)(H,15,18).
What are the key properties of 2-(ethylamino)-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]butanamide?
2-(ethylamino)-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]butanamide has a molecular weight of 301.37 g/mol, XLogP of -1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]butanamide is sourced from PubChem (CID 107786633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).