4-phenyl-5-(2-phenylethenyl)-2-propan-2-yltriazole

C19H19N3 — CID 76610001

IUPAC4-phenyl-5-(2-phenylethenyl)-2-propan-2-yltriazole
SMILESCC(C)n1nc(C=Cc2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C19H19N3/c1-15(2)22-20-18(14-13-16-9-5-3-6-10-16)19(21-22)17-11-7-4-8-12-17/h3-15H,1-2H3
InChIKeyCQNVKFHKZPOUTM-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.70
Rot. Bonds4

About 4-phenyl-5-(2-phenylethenyl)-2-propan-2-yltriazole

4-phenyl-5-(2-phenylethenyl)-2-propan-2-yltriazole (PubChem CID 76610001) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-phenyl-5-(2-phenylethenyl)-2-propan-2-yltriazole.

Molecular Properties

Compound Name4-phenyl-5-(2-phenylethenyl)-2-propan-2-yltriazole
PubChem CID76610001
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name4-phenyl-5-(2-phenylethenyl)-2-propan-2-yltriazole
SMILESCC(C)n1nc(C=Cc2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C19H19N3/c1-15(2)22-20-18(14-13-16-9-5-3-6-10-16)19(21-22)17-11-7-4-8-12-17/h3-15H,1-2H3
InChIKeyCQNVKFHKZPOUTM-UHFFFAOYSA-N
XLogP4.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-phenyl-5-[(E)-2-phenylethenyl]triazole
CID 89104477
4-methyl-3-phenyl-1-[(E)-2-phenylethenyl]isoquinoline
CID 62707087
6-[5-amino-3-phenyl-6-(2-phenylethenyl)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one
CID 69331884
1-methyl-5-phenyl-3-[(E)-2-phenylethenyl]indazole
CID 20816248
2-methyl-4-phenyl-5-[(E)-2-phenylethenyl]-(118O)1,3-oxazole
CID 134842548
N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 133108212
4,5-diphenyltriazol-2-amine
CID 14173575
2-(2-phenylethenyl)-1-propan-2-ylbenzimidazole
CID 3787775
2-phenyl-4-(2-phenylethenyl)quinazoline
CID 54158747
2,3-bis[(E)-2-phenylethenyl]pyrazine
CID 15654808
4-methyl-3-phenyl-1-propan-2-ylpyrazole
CID 123403415
CID 70567885
CID 70567885

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-(2-phenylethenyl)-2-propan-2-yltriazole?
The IUPAC name of 4-phenyl-5-(2-phenylethenyl)-2-propan-2-yltriazole (CID 76610001) is 4-phenyl-5-(2-phenylethenyl)-2-propan-2-yltriazole.
What is the SMILES notation for 4-phenyl-5-(2-phenylethenyl)-2-propan-2-yltriazole?
The canonical SMILES for 4-phenyl-5-(2-phenylethenyl)-2-propan-2-yltriazole is CC(C)n1nc(C=Cc2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 4-phenyl-5-(2-phenylethenyl)-2-propan-2-yltriazole?
The InChIKey is CQNVKFHKZPOUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c1-15(2)22-20-18(14-13-16-9-5-3-6-10-16)19(21-22)17-11-7-4-8-12-17/h3-15H,1-2H3.
What are the key properties of 4-phenyl-5-(2-phenylethenyl)-2-propan-2-yltriazole?
4-phenyl-5-(2-phenylethenyl)-2-propan-2-yltriazole has a molecular weight of 289.38 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-(2-phenylethenyl)-2-propan-2-yltriazole is sourced from PubChem (CID 76610001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).