2-(3-amino-1,2,4-triazol-1-yl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone

C9H15N5O3S — CID 102882210

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
SMILESCC1CS(=O)(=O)CCN1C(=O)Cn1cnc(N)n1
InChIInChI=1S/C9H15N5O3S/c1-7-5-18(16,17)3-2-14(7)8(15)4-13-6-11-9(10)12-13/h6-7H,2-5H2,1H3,(H2,10,12)
InChIKeyCZFGXDXXQAYVHA-UHFFFAOYSA-N
MW273.32 g/mol
LogP-1.49
Rot. Bonds2

About 2-(3-amino-1,2,4-triazol-1-yl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone

2-(3-amino-1,2,4-triazol-1-yl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone (PubChem CID 102882210) has the molecular formula C9H15N5O3S and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
PubChem CID102882210
Molecular FormulaC9H15N5O3S
Molecular Weight273.32 g/mol
Exact Mass273.09
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
SMILESCC1CS(=O)(=O)CCN1C(=O)Cn1cnc(N)n1
InChIInChI=1S/C9H15N5O3S/c1-7-5-18(16,17)3-2-14(7)8(15)4-13-6-11-9(10)12-13/h6-7H,2-5H2,1H3,(H2,10,12)
InChIKeyCZFGXDXXQAYVHA-UHFFFAOYSA-N
XLogP-1.49
TPSA111.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 5-1.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-amino-1,2,4-triazol-1-yl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-aminophenoxy)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 102882184
4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-methylpiperazin-2-one
CID 63594537
2-(3-amino-1,2,4-triazol-1-yl)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 107210992
4-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one
CID 103797329
3-chloro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 102883010
2-(3-amino-1,2,4-triazol-1-yl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 62935640
(4-aminophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103811859
3-(3-aminophenyl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 102882275
(E)-3-(4-aminophenyl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-2-en-1-one
CID 102883258
1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidine-2-carboxamide
CID 54978369
2-(1,4-diazepan-1-yl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 102883320
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-amino-1,2,4-triazol-1-yl)ethanone
CID 113335471

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone (CID 102882210) is 2-(3-amino-1,2,4-triazol-1-yl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone is CC1CS(=O)(=O)CCN1C(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The InChIKey is CZFGXDXXQAYVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3S/c1-7-5-18(16,17)3-2-14(7)8(15)4-13-6-11-9(10)12-13/h6-7H,2-5H2,1H3,(H2,10,12).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
2-(3-amino-1,2,4-triazol-1-yl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone has a molecular weight of 273.32 g/mol, XLogP of -1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone is sourced from PubChem (CID 102882210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).