N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-2-pyridin-4-ylethanamine

C14H22N6 — CID 62427263

IUPACN-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-2-pyridin-4-ylethanamine
SMILESCNCc1cn(CCN(C)CCc2ccncc2)nn1
InChIInChI=1S/C14H22N6/c1-15-11-14-12-20(18-17-14)10-9-19(2)8-5-13-3-6-16-7-4-13/h3-4,6-7,12,15H,5,8-11H2,1-2H3
InChIKeyDKNFWQNGUAPEJA-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.57
Rot. Bonds8

About N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-2-pyridin-4-ylethanamine

N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-2-pyridin-4-ylethanamine (PubChem CID 62427263) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-2-pyridin-4-ylethanamine
PubChem CID62427263
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC NameN-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-2-pyridin-4-ylethanamine
SMILESCNCc1cn(CCN(C)CCc2ccncc2)nn1
InChIInChI=1S/C14H22N6/c1-15-11-14-12-20(18-17-14)10-9-19(2)8-5-13-3-6-16-7-4-13/h3-4,6-7,12,15H,5,8-11H2,1-2H3
InChIKeyDKNFWQNGUAPEJA-UHFFFAOYSA-N
XLogP0.57
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfanylethyl)ethanamine
CID 112665539
N-[[1-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62432380
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfonylethyl)ethanamine
CID 79859325
N-[[1-(2-pyridin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine
CID 66192988
N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline
CID 55069971
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methyl-2-pyridin-2-ylethanamine
CID 62417286
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 62428294
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
2-methoxy-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline
CID 62429146

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-2-pyridin-4-ylethanamine?
The IUPAC name of N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-2-pyridin-4-ylethanamine (CID 62427263) is N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-2-pyridin-4-ylethanamine?
The canonical SMILES for N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-2-pyridin-4-ylethanamine is CNCc1cn(CCN(C)CCc2ccncc2)nn1.
What is the InChIKey of N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-2-pyridin-4-ylethanamine?
The InChIKey is DKNFWQNGUAPEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-15-11-14-12-20(18-17-14)10-9-19(2)8-5-13-3-6-16-7-4-13/h3-4,6-7,12,15H,5,8-11H2,1-2H3.
What are the key properties of N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-2-pyridin-4-ylethanamine?
N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-2-pyridin-4-ylethanamine has a molecular weight of 274.37 g/mol, XLogP of 0.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-2-pyridin-4-ylethanamine is sourced from PubChem (CID 62427263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).