N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine

C12H20N6S — CID 62428294

IUPACN-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCNCc1cn(CCN(C)Cc2csc(C)n2)nn1
InChIInChI=1S/C12H20N6S/c1-10-14-12(9-19-10)7-17(3)4-5-18-8-11(6-13-2)15-16-18/h8-9,13H,4-7H2,1-3H3
InChIKeyUECCHUOUJCYTPI-UHFFFAOYSA-N
MW280.40 g/mol
LogP0.89
Rot. Bonds7

About N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine

N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 62428294) has the molecular formula C12H20N6S and a molecular weight of 280.40 g/mol. Its IUPAC name is N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID62428294
Molecular FormulaC12H20N6S
Molecular Weight280.40 g/mol
Exact Mass280.15
IUPAC NameN-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCNCc1cn(CCN(C)Cc2csc(C)n2)nn1
InChIInChI=1S/C12H20N6S/c1-10-14-12(9-19-10)7-17(3)4-5-18-8-11(6-13-2)15-16-18/h8-9,13H,4-7H2,1-3H3
InChIKeyUECCHUOUJCYTPI-UHFFFAOYSA-N
XLogP0.89
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62428469
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfanylethyl)ethanamine
CID 112665539
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-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089
N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline
CID 55069971
N-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 66213821
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66193055
2-methyl-N-[[1-[2-[methyl(thiophen-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62421356
N-methyl-1-[1-(3-methylsulfonylpropyl)triazol-4-yl]methanamine
CID 66216457
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193207
2-methyl-N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62421401

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine (CID 62428294) is N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine is CNCc1cn(CCN(C)Cc2csc(C)n2)nn1.
What is the InChIKey of N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is UECCHUOUJCYTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6S/c1-10-14-12(9-19-10)7-17(3)4-5-18-8-11(6-13-2)15-16-18/h8-9,13H,4-7H2,1-3H3.
What are the key properties of N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 280.40 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 62428294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).