N-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine

C11H15N5 — CID 66191763

IUPACN-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2ccccn2)nn1
InChIInChI=1S/C11H15N5/c1-2-12-7-11-9-16(15-14-11)8-10-5-3-4-6-13-10/h3-6,9,12H,2,7-8H2,1H3
InChIKeySDEFLJNEHPRLMK-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.83
Rot. Bonds5

About N-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine

N-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine (PubChem CID 66191763) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine
PubChem CID66191763
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2ccccn2)nn1
InChIInChI=1S/C11H15N5/c1-2-12-7-11-9-16(15-14-11)8-10-5-3-4-6-13-10/h3-6,9,12H,2,7-8H2,1H3
InChIKeySDEFLJNEHPRLMK-UHFFFAOYSA-N
XLogP0.83
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methyl-2-pyridin-2-ylethanamine
CID 62417286
2-[[4-(methylsulfanylmethyl)triazol-1-yl]methyl]pyridine
CID 68514359
N-[[1-[(6-methoxypyridazin-3-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 114268825
N-[[1-[(5-fluoroquinolin-8-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66194468
3-[1-(pyridin-2-ylmethyl)triazol-4-yl]propanoic acid
CID 107460904
N-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methyl]ethanamine
CID 66193895
N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine
CID 103398556
N-[[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66194460
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66192160
N-[[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66192534
N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66193323
N-methyl-1-[1-(pyrimidin-2-ylmethyl)triazol-4-yl]methanamine
CID 66214042

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine (CID 66191763) is N-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine is CCNCc1cn(Cc2ccccn2)nn1.
What is the InChIKey of N-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine?
The InChIKey is SDEFLJNEHPRLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-2-12-7-11-9-16(15-14-11)8-10-5-3-4-6-13-10/h3-6,9,12H,2,7-8H2,1H3.
What are the key properties of N-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine?
N-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine has a molecular weight of 217.28 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66191763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).