N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]ethanamine

C11H14N4 — CID 62267367

IUPACN-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1-n1cnnc1
InChIInChI=1S/C11H14N4/c1-2-12-7-10-5-3-4-6-11(10)15-8-13-14-9-15/h3-6,8-9,12H,2,7H2,1H3
InChIKeyOILGFLTUEWHDIY-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.38
Rot. Bonds4

About N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]ethanamine

N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]ethanamine (PubChem CID 62267367) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]ethanamine
PubChem CID62267367
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC NameN-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1-n1cnnc1
InChIInChI=1S/C11H14N4/c1-2-12-7-10-5-3-4-6-11(10)15-8-13-14-9-15/h3-6,8-9,12H,2,7H2,1H3
InChIKeyOILGFLTUEWHDIY-UHFFFAOYSA-N
XLogP1.38
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-(1,2,4-triazol-4-yl)phenyl]methanamine
CID 62267365
N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine
CID 43282075
4-[2-(ethylaminomethyl)phenyl]-1H-1,2,4-triazol-5-one
CID 107410843
1-[2-(ethylaminomethyl)phenyl]pyrrole-2,5-dione
CID 61349411
N-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]methyl]ethanamine
CID 55038754
2-(ethylaminomethyl)phenol
CID 12995218
N-[[2-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 62932460
4-[2-(ethylaminomethyl)phenyl]morpholine-3,5-dione
CID 61350180
N-[[2-(3,3-dimethoxyazetidin-1-yl)phenyl]methyl]ethanamine
CID 79677271
N-[[2-(2-methylpropyl)phenyl]methyl]ethanamine
CID 63887722
3-[2-(ethylaminomethyl)phenyl]-1H-imidazol-2-one
CID 103124791
N-[(2-iodophenyl)methyl]ethanamine
CID 15639059

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]ethanamine (CID 62267367) is N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]ethanamine is CCNCc1ccccc1-n1cnnc1.
What is the InChIKey of N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]ethanamine?
The InChIKey is OILGFLTUEWHDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-2-12-7-10-5-3-4-6-11(10)15-8-13-14-9-15/h3-6,8-9,12H,2,7H2,1H3.
What are the key properties of N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]ethanamine?
N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]ethanamine has a molecular weight of 202.26 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 62267367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).