N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine

C11H14N4 — CID 107447340

IUPACN-[(2-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCCNCc1ncnn1-c1ccccc1
InChIInChI=1S/C11H14N4/c1-2-12-8-11-13-9-14-15(11)10-6-4-3-5-7-10/h3-7,9,12H,2,8H2,1H3
InChIKeySKGPRPCZGDRCJX-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.38
Rot. Bonds4

About N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine

N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 107447340) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID107447340
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC NameN-[(2-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCCNCc1ncnn1-c1ccccc1
InChIInChI=1S/C11H14N4/c1-2-12-8-11-13-9-14-15(11)10-6-4-3-5-7-10/h3-7,9,12H,2,8H2,1H3
InChIKeySKGPRPCZGDRCJX-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-phenyl-1,2,4-triazol-3-yl)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

N-[[2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 107447326
1-phenyl-5-propyl-1,2,4-triazole
CID 130383396
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
2-(2-phenyl-1,2,4-triazol-3-yl)ethanamine
CID 84661566
2-[[4-[(2-phenyl-1,2,4-triazol-3-yl)methylamino]benzoyl]amino]acetic acid
CID 146148396
2-methyl-N-[[2-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 107447443
N-[[2-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 107447364
2-(2-phenyl-1,2,4-triazol-3-yl)propan-2-ol
CID 115022972
N-[(1-phenyl-5-propylpyrazol-4-yl)methyl]ethanamine
CID 66440844
N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-yloxypyridine-3-carboxamide
CID 100642548
N-[[1-[(1-phenylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62223380

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 107447340) is N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine is CCNCc1ncnn1-c1ccccc1.
What is the InChIKey of N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is SKGPRPCZGDRCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-2-12-8-11-13-9-14-15(11)10-6-4-3-5-7-10/h3-7,9,12H,2,8H2,1H3.
What are the key properties of N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine?
N-[(2-phenyl-1,2,4-triazol-3-yl)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-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 107447340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).