1-(3-ethyltriazol-4-yl)-1-(3-iodophenyl)-N-methylmethanamine

C12H15IN4 — CID 114213558

IUPAC1-(3-ethyltriazol-4-yl)-1-(3-iodophenyl)-N-methylmethanamine
SMILESCCn1nncc1C(NC)c1cccc(I)c1
InChIInChI=1S/C12H15IN4/c1-3-17-11(8-15-16-17)12(14-2)9-5-4-6-10(13)7-9/h4-8,12,14H,3H2,1-2H3
InChIKeyWEJIGJSMKPOWAL-UHFFFAOYSA-N
MW342.18 g/mol
LogP2.21
Rot. Bonds4

About 1-(3-ethyltriazol-4-yl)-1-(3-iodophenyl)-N-methylmethanamine

1-(3-ethyltriazol-4-yl)-1-(3-iodophenyl)-N-methylmethanamine (PubChem CID 114213558) has the molecular formula C12H15IN4 and a molecular weight of 342.18 g/mol. Its IUPAC name is 1-(3-ethyltriazol-4-yl)-1-(3-iodophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethyltriazol-4-yl)-1-(3-iodophenyl)-N-methylmethanamine
PubChem CID114213558
Molecular FormulaC12H15IN4
Molecular Weight342.18 g/mol
Exact Mass342.03
IUPAC Name1-(3-ethyltriazol-4-yl)-1-(3-iodophenyl)-N-methylmethanamine
SMILESCCn1nncc1C(NC)c1cccc(I)c1
InChIInChI=1S/C12H15IN4/c1-3-17-11(8-15-16-17)12(14-2)9-5-4-6-10(13)7-9/h4-8,12,14H,3H2,1-2H3
InChIKeyWEJIGJSMKPOWAL-UHFFFAOYSA-N
XLogP2.21
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(3-ethyltriazol-4-yl)-1-(3-iodophenyl)-N-methylmethanamine 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

1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-iodophenyl)-N-methylmethanamine
CID 105040827
1-(3-bromophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114687111
1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038760
N-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine
CID 114687541
1-(3,4-dichlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688813
1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114686909
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114687190
1-(3-bromo-4-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038815
1-(3-iodophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105023193
1-(2,3-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 115850509
1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 105090473
1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688524

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyltriazol-4-yl)-1-(3-iodophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-ethyltriazol-4-yl)-1-(3-iodophenyl)-N-methylmethanamine (CID 114213558) is 1-(3-ethyltriazol-4-yl)-1-(3-iodophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethyltriazol-4-yl)-1-(3-iodophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-ethyltriazol-4-yl)-1-(3-iodophenyl)-N-methylmethanamine is CCn1nncc1C(NC)c1cccc(I)c1.
What is the InChIKey of 1-(3-ethyltriazol-4-yl)-1-(3-iodophenyl)-N-methylmethanamine?
The InChIKey is WEJIGJSMKPOWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN4/c1-3-17-11(8-15-16-17)12(14-2)9-5-4-6-10(13)7-9/h4-8,12,14H,3H2,1-2H3.
What are the key properties of 1-(3-ethyltriazol-4-yl)-1-(3-iodophenyl)-N-methylmethanamine?
1-(3-ethyltriazol-4-yl)-1-(3-iodophenyl)-N-methylmethanamine has a molecular weight of 342.18 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyltriazol-4-yl)-1-(3-iodophenyl)-N-methylmethanamine is sourced from PubChem (CID 114213558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).