[5-[(E)-2-phenylethenyl]-1-(1-phenylethyl)triazol-4-yl]methanamine

C19H20N4 — CID 82206285

IUPAC[5-[(E)-2-phenylethenyl]-1-(1-phenylethyl)triazol-4-yl]methanamine
SMILESCC(c1ccccc1)n1nnc(CN)c1/C=C/c1ccccc1
InChIInChI=1S/C19H20N4/c1-15(17-10-6-3-7-11-17)23-19(18(14-20)21-22-23)13-12-16-8-4-2-5-9-16/h2-13,15H,14,20H2,1H3/b13-12+
InChIKeyWHNKKGWMVLZJBF-OUKQBFOZSA-N
MW304.40 g/mol
LogP3.52
Rot. Bonds5

About [5-[(E)-2-phenylethenyl]-1-(1-phenylethyl)triazol-4-yl]methanamine

[5-[(E)-2-phenylethenyl]-1-(1-phenylethyl)triazol-4-yl]methanamine (PubChem CID 82206285) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is [5-[(E)-2-phenylethenyl]-1-(1-phenylethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-[(E)-2-phenylethenyl]-1-(1-phenylethyl)triazol-4-yl]methanamine
PubChem CID82206285
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name[5-[(E)-2-phenylethenyl]-1-(1-phenylethyl)triazol-4-yl]methanamine
SMILESCC(c1ccccc1)n1nnc(CN)c1/C=C/c1ccccc1
InChIInChI=1S/C19H20N4/c1-15(17-10-6-3-7-11-17)23-19(18(14-20)21-22-23)13-12-16-8-4-2-5-9-16/h2-13,15H,14,20H2,1H3/b13-12+
InChIKeyWHNKKGWMVLZJBF-OUKQBFOZSA-N
XLogP3.52
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-[(E)-2-phenylethenyl]-1-(1-phenylethyl)triazol-4-yl]methanamine with MolForge

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Related Compounds

[1-(1-phenylethyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82206282
2-[5-methyl-1-(1-phenylethyl)triazol-4-yl]ethanamine
CID 82206303
[5-methyl-1-(1-phenylethyl)triazol-4-yl]methanol
CID 82206167
[5-[(E)-2-(4-chlorophenyl)ethenyl]-1-ethyltriazol-4-yl]methanamine
CID 82207512
[1-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanamine
CID 82199235
3-[5-methyl-1-(1-phenylethyl)triazol-4-yl]propan-1-ol
CID 82206301
1-(1-phenylethyl)tetrazol-5-amine
CID 19981424
3-[1-(1-phenylethyl)tetrazol-5-yl]propan-1-amine
CID 82228413
[5-(phenoxymethyl)-1-propan-2-yltriazol-4-yl]methanamine
CID 82207066
[5-(4-fluorophenyl)-1-(1-phenylethyl)triazol-4-yl]methanol
CID 82206224
[1-(2-methylprop-2-enyl)-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol
CID 82210830
[5-[(E)-2-(4-fluorophenyl)ethenyl]-1-prop-2-enyltriazol-4-yl]methanamine
CID 82204774

Frequently Asked Questions

What is the IUPAC name of [5-[(E)-2-phenylethenyl]-1-(1-phenylethyl)triazol-4-yl]methanamine?
The IUPAC name of [5-[(E)-2-phenylethenyl]-1-(1-phenylethyl)triazol-4-yl]methanamine (CID 82206285) is [5-[(E)-2-phenylethenyl]-1-(1-phenylethyl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-[(E)-2-phenylethenyl]-1-(1-phenylethyl)triazol-4-yl]methanamine?
The canonical SMILES for [5-[(E)-2-phenylethenyl]-1-(1-phenylethyl)triazol-4-yl]methanamine is CC(c1ccccc1)n1nnc(CN)c1/C=C/c1ccccc1.
What is the InChIKey of [5-[(E)-2-phenylethenyl]-1-(1-phenylethyl)triazol-4-yl]methanamine?
The InChIKey is WHNKKGWMVLZJBF-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H20N4/c1-15(17-10-6-3-7-11-17)23-19(18(14-20)21-22-23)13-12-16-8-4-2-5-9-16/h2-13,15H,14,20H2,1H3/b13-12+.
What are the key properties of [5-[(E)-2-phenylethenyl]-1-(1-phenylethyl)triazol-4-yl]methanamine?
[5-[(E)-2-phenylethenyl]-1-(1-phenylethyl)triazol-4-yl]methanamine has a molecular weight of 304.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(E)-2-phenylethenyl]-1-(1-phenylethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82206285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).