(2-iodophenyl)-(3-phenyltriazol-4-yl)methanamine

C15H13IN4 — CID 105043267

IUPAC(2-iodophenyl)-(3-phenyltriazol-4-yl)methanamine
SMILESNC(c1ccccc1I)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H13IN4/c16-13-9-5-4-8-12(13)15(17)14-10-18-19-20(14)11-6-2-1-3-7-11/h1-10,15H,17H2
InChIKeyGSFZXQSICCAXGM-UHFFFAOYSA-N
MW376.20 g/mol
LogP2.92
Rot. Bonds3

About (2-iodophenyl)-(3-phenyltriazol-4-yl)methanamine

(2-iodophenyl)-(3-phenyltriazol-4-yl)methanamine (PubChem CID 105043267) has the molecular formula C15H13IN4 and a molecular weight of 376.20 g/mol. Its IUPAC name is (2-iodophenyl)-(3-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-iodophenyl)-(3-phenyltriazol-4-yl)methanamine
PubChem CID105043267
Molecular FormulaC15H13IN4
Molecular Weight376.20 g/mol
Exact Mass376.02
IUPAC Name(2-iodophenyl)-(3-phenyltriazol-4-yl)methanamine
SMILESNC(c1ccccc1I)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H13IN4/c16-13-9-5-4-8-12(13)15(17)14-10-18-19-20(14)11-6-2-1-3-7-11/h1-10,15H,17H2
InChIKeyGSFZXQSICCAXGM-UHFFFAOYSA-N
XLogP2.92
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-bromo-2-methylphenyl)-(3-phenyltriazol-4-yl)methanamine
CID 105043263
(4-bromophenyl)-(3-phenyltriazol-4-yl)methanamine
CID 114686892
(2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanamine
CID 107969139
(5-methylpyrimidin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 114688939
(5-bromo-2-fluorophenyl)-(3-phenyltriazol-4-yl)methanamine
CID 114894453
(3-methoxy-4-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
CID 105066080
(3-chloro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
CID 103443749
(5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
CID 114688571
(5-methylpyrazin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 105184416
cyclopropyl-(3-phenyltriazol-4-yl)methanamine
CID 114687020
(5-ethylfuran-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 105043201
2-methoxy-1-(3-phenyltriazol-4-yl)propan-1-amine
CID 114688531

Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-(3-phenyltriazol-4-yl)methanamine?
The IUPAC name of (2-iodophenyl)-(3-phenyltriazol-4-yl)methanamine (CID 105043267) is (2-iodophenyl)-(3-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for (2-iodophenyl)-(3-phenyltriazol-4-yl)methanamine?
The canonical SMILES for (2-iodophenyl)-(3-phenyltriazol-4-yl)methanamine is NC(c1ccccc1I)c1cnnn1-c1ccccc1.
What is the InChIKey of (2-iodophenyl)-(3-phenyltriazol-4-yl)methanamine?
The InChIKey is GSFZXQSICCAXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN4/c16-13-9-5-4-8-12(13)15(17)14-10-18-19-20(14)11-6-2-1-3-7-11/h1-10,15H,17H2.
What are the key properties of (2-iodophenyl)-(3-phenyltriazol-4-yl)methanamine?
(2-iodophenyl)-(3-phenyltriazol-4-yl)methanamine has a molecular weight of 376.20 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-(3-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 105043267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).