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

C12H16N4 — CID 62447936

IUPACN-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1Cn1cncn1
InChIInChI=1S/C12H16N4/c1-2-13-7-11-5-3-4-6-12(11)8-16-10-14-9-15-16/h3-6,9-10,13H,2,7-8H2,1H3
InChIKeyWGTODXQTTGDUNV-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.44
Rot. Bonds5

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

N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamine (PubChem CID 62447936) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamine
PubChem CID62447936
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1Cn1cncn1
InChIInChI=1S/C12H16N4/c1-2-13-7-11-5-3-4-6-12(11)8-16-10-14-9-15-16/h3-6,9-10,13H,2,7-8H2,1H3
InChIKeyWGTODXQTTGDUNV-UHFFFAOYSA-N
XLogP1.44
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 42957266
N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine
CID 43282075
N-[[5-methyl-4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 80729952
2-amino-2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pentanamide;dihydrochloride
CID 119846813
2-(cyclopropylmethylamino)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119846776
N-[(2-chlorophenyl)methyl]-2-(1,2,4-triazol-1-yl)ethanamine;hydrochloride
CID 115595731
2-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]isoindole-1,3-dione
CID 139645852
(2S,6S)-2,6-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 35669651
1-amino-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119846749
(2S)-2-ethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 94030790
5-bromo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine
CID 75372883
1-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 35669769

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamine (CID 62447936) is N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamine is CCNCc1ccccc1Cn1cncn1.
What is the InChIKey of N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamine?
The InChIKey is WGTODXQTTGDUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-2-13-7-11-5-3-4-6-12(11)8-16-10-14-9-15-16/h3-6,9-10,13H,2,7-8H2,1H3.
What are the key properties of N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamine?
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamine has a molecular weight of 216.29 g/mol, XLogP of 1.44, 5 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-1-ylmethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 62447936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).