N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfanylethyl)ethanamine

C10H21N5S — CID 112665539

IUPACN-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfanylethyl)ethanamine
SMILESCNCc1cn(CCN(C)CCSC)nn1
InChIInChI=1S/C10H21N5S/c1-11-8-10-9-15(13-12-10)5-4-14(2)6-7-16-3/h9,11H,4-8H2,1-3H3
InChIKeyUKQFMVICRUFRTL-UHFFFAOYSA-N
MW243.38 g/mol
LogP0.29
Rot. Bonds8

About N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfanylethyl)ethanamine

N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfanylethyl)ethanamine (PubChem CID 112665539) has the molecular formula C10H21N5S and a molecular weight of 243.38 g/mol. Its IUPAC name is N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfanylethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfanylethyl)ethanamine
PubChem CID112665539
Molecular FormulaC10H21N5S
Molecular Weight243.38 g/mol
Exact Mass243.15
IUPAC NameN-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfanylethyl)ethanamine
SMILESCNCc1cn(CCN(C)CCSC)nn1
InChIInChI=1S/C10H21N5S/c1-11-8-10-9-15(13-12-10)5-4-14(2)6-7-16-3/h9,11H,4-8H2,1-3H3
InChIKeyUKQFMVICRUFRTL-UHFFFAOYSA-N
XLogP0.29
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfonylethyl)ethanamine
CID 79859325
N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-2-pyridin-4-ylethanamine
CID 62427263
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 62428294
N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline
CID 55069971
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methylpropan-1-amine
CID 62417936
N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pentan-2-amine
CID 62433817
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methylbutan-1-amine
CID 62423669
N,N,N'-trimethyl-N'-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]ethane-1,2-diamine
CID 63727022
N,2-dimethyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]cyclohexan-1-amine
CID 62462234
N-methyl-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]pentan-1-amine
CID 55074649
2-methoxy-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline
CID 62429146
N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,2,2-trimethylpropan-1-amine
CID 62461556

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfanylethyl)ethanamine?
The IUPAC name of N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfanylethyl)ethanamine (CID 112665539) is N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfanylethyl)ethanamine.
What is the SMILES notation for N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfanylethyl)ethanamine?
The canonical SMILES for N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfanylethyl)ethanamine is CNCc1cn(CCN(C)CCSC)nn1.
What is the InChIKey of N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfanylethyl)ethanamine?
The InChIKey is UKQFMVICRUFRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5S/c1-11-8-10-9-15(13-12-10)5-4-14(2)6-7-16-3/h9,11H,4-8H2,1-3H3.
What are the key properties of N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfanylethyl)ethanamine?
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfanylethyl)ethanamine has a molecular weight of 243.38 g/mol, XLogP of 0.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfanylethyl)ethanamine is sourced from PubChem (CID 112665539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).