N,N-dimethyl-2-(1-sulfanyltriazol-4-yl)ethanamine

C6H12N4S — CID 19896364

IUPACN,N-dimethyl-2-(1-sulfanyltriazol-4-yl)ethanamine
SMILESCN(C)CCc1cn(S)nn1
InChIInChI=1S/C6H12N4S/c1-9(2)4-3-6-5-10(11)8-7-6/h5,11H,3-4H2,1-2H3
InChIKeyTYHHMVVXMAWYBS-UHFFFAOYSA-N
MW172.26 g/mol
LogP0.08
Rot. Bonds3

About N,N-dimethyl-2-(1-sulfanyltriazol-4-yl)ethanamine

N,N-dimethyl-2-(1-sulfanyltriazol-4-yl)ethanamine (PubChem CID 19896364) has the molecular formula C6H12N4S and a molecular weight of 172.26 g/mol. Its IUPAC name is N,N-dimethyl-2-(1-sulfanyltriazol-4-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(1-sulfanyltriazol-4-yl)ethanamine
PubChem CID19896364
Molecular FormulaC6H12N4S
Molecular Weight172.26 g/mol
Exact Mass172.08
IUPAC NameN,N-dimethyl-2-(1-sulfanyltriazol-4-yl)ethanamine
SMILESCN(C)CCc1cn(S)nn1
InChIInChI=1S/C6H12N4S/c1-9(2)4-3-6-5-10(11)8-7-6/h5,11H,3-4H2,1-2H3
InChIKeyTYHHMVVXMAWYBS-UHFFFAOYSA-N
XLogP0.08
TPSA33.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.26
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-[4-[2-(dimethylamino)ethyl]triazol-1-yl]benzenesulfonamide
CID 146135406
2-[6-[2-(dimethylamino)ethyl]-2-pyridinyl]-N,N-dimethylethanamine
CID 23545476
[1-[2-(dimethylamino)ethyl]triazol-4-yl]methanol
CID 62399765
2-(5-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-dimethylethanamine
CID 117133330
N,N-dimethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 910865
2-[4-[(dimethylamino)methyl]triazol-1-yl]-N,N-bis[2-[4-[(dimethylamino)methyl]triazol-1-yl]ethyl]ethanamine
CID 139251714
1-[1-[2-(dimethylamino)ethyl]triazol-4-yl]-2-methylpropan-2-ol
CID 90931320
1-sulfanyltriazol-4-amine
CID 18427063
3-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]propan-1-ol
CID 165456647
N,N-dimethyl-3-(1,2-oxazol-3-yl)propan-1-amine
CID 57052776
2-[1-[3-(dimethylamino)propyl]triazol-4-yl]ethyl 2-methylprop-2-enoate
CID 123613142
2-[1-[3-(dimethylamino)propyl]triazol-4-yl]acetic acid
CID 107461296

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1-sulfanyltriazol-4-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(1-sulfanyltriazol-4-yl)ethanamine (CID 19896364) is N,N-dimethyl-2-(1-sulfanyltriazol-4-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(1-sulfanyltriazol-4-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(1-sulfanyltriazol-4-yl)ethanamine is CN(C)CCc1cn(S)nn1.
What is the InChIKey of N,N-dimethyl-2-(1-sulfanyltriazol-4-yl)ethanamine?
The InChIKey is TYHHMVVXMAWYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S/c1-9(2)4-3-6-5-10(11)8-7-6/h5,11H,3-4H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(1-sulfanyltriazol-4-yl)ethanamine?
N,N-dimethyl-2-(1-sulfanyltriazol-4-yl)ethanamine has a molecular weight of 172.26 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1-sulfanyltriazol-4-yl)ethanamine is sourced from PubChem (CID 19896364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).