4-cyclopenta-2,4-dien-1-yl-1-[(4-ethenylphenyl)methyl]triazole

C16H15N3 — CID 171467842

IUPAC4-cyclopenta-2,4-dien-1-yl-1-[(4-ethenylphenyl)methyl]triazole
SMILESC=Cc1ccc(Cn2cc(C3C=CC=C3)nn2)cc1
InChIInChI=1S/C16H15N3/c1-2-13-7-9-14(10-8-13)11-19-12-16(17-18-19)15-5-3-4-6-15/h2-10,12,15H,1,11H2
InChIKeyYBXDDTDJHBQRGU-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.18
Rot. Bonds4

About 4-cyclopenta-2,4-dien-1-yl-1-[(4-ethenylphenyl)methyl]triazole

4-cyclopenta-2,4-dien-1-yl-1-[(4-ethenylphenyl)methyl]triazole (PubChem CID 171467842) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-cyclopenta-2,4-dien-1-yl-1-[(4-ethenylphenyl)methyl]triazole.

Molecular Properties

Compound Name4-cyclopenta-2,4-dien-1-yl-1-[(4-ethenylphenyl)methyl]triazole
PubChem CID171467842
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name4-cyclopenta-2,4-dien-1-yl-1-[(4-ethenylphenyl)methyl]triazole
SMILESC=Cc1ccc(Cn2cc(C3C=CC=C3)nn2)cc1
InChIInChI=1S/C16H15N3/c1-2-13-7-9-14(10-8-13)11-19-12-16(17-18-19)15-5-3-4-6-15/h2-10,12,15H,1,11H2
InChIKeyYBXDDTDJHBQRGU-UHFFFAOYSA-N
XLogP3.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopenta-2,4-dien-1-yl-1-[[4-[(4-cyclopenta-2,4-dien-1-yltriazol-1-yl)methyl]phenyl]methyl]triazole
CID 102407904
4-ethenyl-1-[(4-methoxyphenyl)methyl]triazole
CID 69000286
4-[2-[4-[1-[(4-ethenylphenyl)methyl]triazol-4-yl]phenyl]ethynyl]-N,N-dihexadecylaniline
CID 132600839
(3R)-1-[(4-ethenylphenyl)methyl]pyrrolidin-3-ol
CID 129494089
1-[(4-ethenylphenyl)methyl]-4-nitropyrazole
CID 91823815
1-[(4-ethenylphenyl)methyl]-4-methylpiperidine
CID 89299852
5-tert-butyl-2-[(4-ethenylphenyl)methyl]tetrazole
CID 172619573
2-[(4-ethenylphenyl)methyl]-5-propyltetrazole
CID 172619544
2-[(4-ethenylphenyl)methyl]-5-[9-[2-[(4-ethenylphenyl)methyl]tetrazol-5-yl]nonyl]tetrazole
CID 172619655
1,4-bis[(4-ethenylphenyl)methyl]benzene
CID 20738932
1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene
CID 163649628
(2S)-3-[(4-methylphenyl)methyl]-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966616

Frequently Asked Questions

What is the IUPAC name of 4-cyclopenta-2,4-dien-1-yl-1-[(4-ethenylphenyl)methyl]triazole?
The IUPAC name of 4-cyclopenta-2,4-dien-1-yl-1-[(4-ethenylphenyl)methyl]triazole (CID 171467842) is 4-cyclopenta-2,4-dien-1-yl-1-[(4-ethenylphenyl)methyl]triazole.
What is the SMILES notation for 4-cyclopenta-2,4-dien-1-yl-1-[(4-ethenylphenyl)methyl]triazole?
The canonical SMILES for 4-cyclopenta-2,4-dien-1-yl-1-[(4-ethenylphenyl)methyl]triazole is C=Cc1ccc(Cn2cc(C3C=CC=C3)nn2)cc1.
What is the InChIKey of 4-cyclopenta-2,4-dien-1-yl-1-[(4-ethenylphenyl)methyl]triazole?
The InChIKey is YBXDDTDJHBQRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-2-13-7-9-14(10-8-13)11-19-12-16(17-18-19)15-5-3-4-6-15/h2-10,12,15H,1,11H2.
What are the key properties of 4-cyclopenta-2,4-dien-1-yl-1-[(4-ethenylphenyl)methyl]triazole?
4-cyclopenta-2,4-dien-1-yl-1-[(4-ethenylphenyl)methyl]triazole has a molecular weight of 249.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopenta-2,4-dien-1-yl-1-[(4-ethenylphenyl)methyl]triazole is sourced from PubChem (CID 171467842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).