5-[[(1,1-dioxothiolan-3-yl)amino]methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine

C9H17N5O2S — CID 114244270

IUPAC5-[[(1,1-dioxothiolan-3-yl)amino]methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine
SMILESCN(C)c1n[nH]c(CNC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C9H17N5O2S/c1-14(2)9-11-8(12-13-9)5-10-7-3-4-17(15,16)6-7/h7,10H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyUSXLNKZWCIMFHT-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.85
Rot. Bonds4

About 5-[[(1,1-dioxothiolan-3-yl)amino]methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine

5-[[(1,1-dioxothiolan-3-yl)amino]methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine (PubChem CID 114244270) has the molecular formula C9H17N5O2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-[[(1,1-dioxothiolan-3-yl)amino]methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[[(1,1-dioxothiolan-3-yl)amino]methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine
PubChem CID114244270
Molecular FormulaC9H17N5O2S
Molecular Weight259.33 g/mol
Exact Mass259.11
IUPAC Name5-[[(1,1-dioxothiolan-3-yl)amino]methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine
SMILESCN(C)c1n[nH]c(CNC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C9H17N5O2S/c1-14(2)9-11-8(12-13-9)5-10-7-3-4-17(15,16)6-7/h7,10H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyUSXLNKZWCIMFHT-UHFFFAOYSA-N
XLogP-0.85
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[(1,1-dioxothiolan-3-yl)amino]methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine with MolForge

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Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 43644749
N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,1-dioxothiolan-3-amine
CID 55092606
4-N-(1,1-dioxothiolan-3-yl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80786050
N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43237040
N-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 62697401
(3R)-N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 2449451
N-[(6-methyl-3-pyridinyl)methyl]-1,1-dioxothiolan-3-amine
CID 62996716
N-(1H-imidazol-2-ylmethyl)-1,1-dioxothian-3-amine
CID 63922123
N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547628
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-dioxothian-3-amine
CID 63924723
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 79578518
N-[(3,5-dibromo-2-pyridinyl)methyl]-1,1-dioxothiolan-3-amine
CID 113393623

Frequently Asked Questions

What is the IUPAC name of 5-[[(1,1-dioxothiolan-3-yl)amino]methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[[(1,1-dioxothiolan-3-yl)amino]methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine (CID 114244270) is 5-[[(1,1-dioxothiolan-3-yl)amino]methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[[(1,1-dioxothiolan-3-yl)amino]methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[[(1,1-dioxothiolan-3-yl)amino]methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine is CN(C)c1n[nH]c(CNC2CCS(=O)(=O)C2)n1.
What is the InChIKey of 5-[[(1,1-dioxothiolan-3-yl)amino]methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine?
The InChIKey is USXLNKZWCIMFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S/c1-14(2)9-11-8(12-13-9)5-10-7-3-4-17(15,16)6-7/h7,10H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 5-[[(1,1-dioxothiolan-3-yl)amino]methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine?
5-[[(1,1-dioxothiolan-3-yl)amino]methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine has a molecular weight of 259.33 g/mol, XLogP of -0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1,1-dioxothiolan-3-yl)amino]methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 114244270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).