N-(1,1-dioxothiolan-3-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine

C14H23N5O2S — CID 112954980

IUPACN-(1,1-dioxothiolan-3-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
SMILESCCC1CCCCN1c1cnnc(NC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C14H23N5O2S/c1-2-12-5-3-4-7-19(12)13-9-15-18-14(17-13)16-11-6-8-22(20,21)10-11/h9,11-12H,2-8,10H2,1H3,(H,16,17,18)
InChIKeyDFQBTHAAKOTDHP-UHFFFAOYSA-N
MW325.44 g/mol
LogP1.24
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine

N-(1,1-dioxothiolan-3-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112954980) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112954980
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC NameN-(1,1-dioxothiolan-3-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
SMILESCCC1CCCCN1c1cnnc(NC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C14H23N5O2S/c1-2-12-5-3-4-7-19(12)13-9-15-18-14(17-13)16-11-6-8-22(20,21)10-11/h9,11-12H,2-8,10H2,1H3,(H,16,17,18)
InChIKeyDFQBTHAAKOTDHP-UHFFFAOYSA-N
XLogP1.24
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,1-dioxothiolan-3-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine 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

N-cyclopentyl-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112941690
N-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 112921818
5-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine
CID 112943549
N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112921706
N-(1,1-dioxothiolan-3-yl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112954955
N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960381
N-(3,5-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960380
N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960398
N-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960463
N-(2,4-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960459
N-(3,4-dimethoxyphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960419
N-(2-tert-butylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960392

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine (CID 112954980) is N-(1,1-dioxothiolan-3-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine is CCC1CCCCN1c1cnnc(NC2CCS(=O)(=O)C2)n1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is DFQBTHAAKOTDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-2-12-5-3-4-7-19(12)13-9-15-18-14(17-13)16-11-6-8-22(20,21)10-11/h9,11-12H,2-8,10H2,1H3,(H,16,17,18).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine?
N-(1,1-dioxothiolan-3-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 325.44 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112954980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).