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

C11H14N4 — CID 43282075

IUPACN-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1-n1cncn1
InChIInChI=1S/C11H14N4/c1-2-12-7-10-5-3-4-6-11(10)15-9-13-8-14-15/h3-6,8-9,12H,2,7H2,1H3
InChIKeyBVDMDFCQKXGBIZ-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.38
Rot. Bonds4

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

N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine (PubChem CID 43282075) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine
PubChem CID43282075
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC NameN-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1-n1cncn1
InChIInChI=1S/C11H14N4/c1-2-12-7-10-5-3-4-6-11(10)15-9-13-8-14-15/h3-6,8-9,12H,2,7H2,1H3
InChIKeyBVDMDFCQKXGBIZ-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

Analyze N-[[2-(1,2,4-triazol-1-yl)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-yl)phenyl]methyl]propan-1-amine
CID 63069997
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 62447936
N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]ethanamine
CID 62267367
2-propyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 72882431
1-[3-(2-methylprop-2-enoxy)phenyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]methanamine
CID 46994456
N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43426538
3-methyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]furan-2-carboxamide
CID 56756653
2-methyl-6-[[2-(1,2,4-triazol-1-yl)anilino]methyl]phenol
CID 115951256
3-[[2-(1,2,4-triazol-1-yl)anilino]methyl]benzene-1,2-diol
CID 61318676
(3R)-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]thiolan-3-amine
CID 95135165
4-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]thiadiazole-5-carboxamide
CID 91783113
(2R)-2-naphthalen-2-yloxy-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
CID 97136134

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine (CID 43282075) is N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine is CCNCc1ccccc1-n1cncn1.
What is the InChIKey of N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine?
The InChIKey is BVDMDFCQKXGBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-2-12-7-10-5-3-4-6-11(10)15-9-13-8-14-15/h3-6,8-9,12H,2,7H2,1H3.
What are the key properties of N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine?
N-[[2-(1,2,4-triazol-1-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-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 43282075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).