[1-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanamine

C19H20N4 — CID 82199235

IUPAC[1-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanamine
SMILESCc1ccc(/C=C/c2c(CN)nnn2-c2ccc(C)cc2)cc1
InChIInChI=1S/C19H20N4/c1-14-3-7-16(8-4-14)9-12-19-18(13-20)21-22-23(19)17-10-5-15(2)6-11-17/h3-12H,13,20H2,1-2H3/b12-9+
InChIKeyAXYDTFZIWIDFME-FMIVXFBMSA-N
MW304.40 g/mol
LogP3.51
Rot. Bonds4

About [1-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanamine

[1-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanamine (PubChem CID 82199235) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is [1-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanamine
PubChem CID82199235
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name[1-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanamine
SMILESCc1ccc(/C=C/c2c(CN)nnn2-c2ccc(C)cc2)cc1
InChIInChI=1S/C19H20N4/c1-14-3-7-16(8-4-14)9-12-19-18(13-20)21-22-23(19)17-10-5-15(2)6-11-17/h3-12H,13,20H2,1-2H3/b12-9+
InChIKeyAXYDTFZIWIDFME-FMIVXFBMSA-N
XLogP3.51
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazole-4-carbonitrile
CID 94938483
5-[(E)-2-(4-methylphenyl)ethenyl]-1-phenyltriazole-4-carboxylic acid
CID 82201380
[5-[(E)-2-(4-chlorophenyl)ethenyl]-1-ethyltriazol-4-yl]methanamine
CID 82207512
4-[5-[(E)-2-(4-fluorophenyl)ethenyl]-4-(hydroxymethyl)triazol-1-yl]phenol
CID 94935692
[5-[(E)-2-(4-chlorophenyl)ethenyl]-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 94962604
[5-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol
CID 94962651
[5-[2-(4-methylphenyl)ethyl]-1-phenyltriazol-4-yl]methanamine
CID 82200300
[5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine
CID 94938003
(5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride
CID 154878745
1-(3-fluorophenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazole-4-carbaldehyde
CID 94937649
[1-(3,4-dimethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82196160
[5-[(E)-2-(4-fluorophenyl)ethenyl]-1-prop-2-enyltriazol-4-yl]methanamine
CID 82204774

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanamine?
The IUPAC name of [1-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanamine (CID 82199235) is [1-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanamine is Cc1ccc(/C=C/c2c(CN)nnn2-c2ccc(C)cc2)cc1.
What is the InChIKey of [1-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanamine?
The InChIKey is AXYDTFZIWIDFME-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H20N4/c1-14-3-7-16(8-4-14)9-12-19-18(13-20)21-22-23(19)17-10-5-15(2)6-11-17/h3-12H,13,20H2,1-2H3/b12-9+.
What are the key properties of [1-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanamine?
[1-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanamine has a molecular weight of 304.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanamine is sourced from PubChem (CID 82199235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).