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

C10H17N5O3S — CID 114001510

IUPAC2-amino-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanamide
SMILESCC(CC(C)(N)C(N)=O)Sc1nc(=O)c(=O)[nH]n1C
InChIInChI=1S/C10H17N5O3S/c1-5(4-10(2,12)8(11)18)19-9-13-6(16)7(17)14-15(9)3/h5H,4,12H2,1-3H3,(H2,11,18)(H,14,17)
InChIKeyGAJSVNKBKZYTNX-UHFFFAOYSA-N
MW287.35 g/mol
LogP-1.46
Rot. Bonds5

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

2-amino-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanamide (PubChem CID 114001510) has the molecular formula C10H17N5O3S and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanamide
PubChem CID114001510
Molecular FormulaC10H17N5O3S
Molecular Weight287.35 g/mol
Exact Mass287.11
IUPAC Name2-amino-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanamide
SMILESCC(CC(C)(N)C(N)=O)Sc1nc(=O)c(=O)[nH]n1C
InChIInChI=1S/C10H17N5O3S/c1-5(4-10(2,12)8(11)18)19-9-13-6(16)7(17)14-15(9)3/h5H,4,12H2,1-3H3,(H2,11,18)(H,14,17)
InChIKeyGAJSVNKBKZYTNX-UHFFFAOYSA-N
XLogP-1.46
TPSA136.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanamide?
The IUPAC name of 2-amino-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanamide (CID 114001510) is 2-amino-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanamide.
What is the SMILES notation for 2-amino-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanamide?
The canonical SMILES for 2-amino-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanamide is CC(CC(C)(N)C(N)=O)Sc1nc(=O)c(=O)[nH]n1C.
What is the InChIKey of 2-amino-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanamide?
The InChIKey is GAJSVNKBKZYTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c1-5(4-10(2,12)8(11)18)19-9-13-6(16)7(17)14-15(9)3/h5H,4,12H2,1-3H3,(H2,11,18)(H,14,17).
What are the key properties of 2-amino-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanamide?
2-amino-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanamide has a molecular weight of 287.35 g/mol, XLogP of -1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanamide is sourced from PubChem (CID 114001510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).