carbon dioxide;4-phenyl-1-(4-propan-2-ylphenyl)triazole

C18H17N3O2 — CID 157181337

IUPACcarbon dioxide;4-phenyl-1-(4-propan-2-ylphenyl)triazole
SMILESCC(C)c1ccc(-n2cc(-c3ccccc3)nn2)cc1.O=C=O
InChIInChI=1S/C17H17N3.CO2/c1-13(2)14-8-10-16(11-9-14)20-12-17(18-19-20)15-6-4-3-5-7-15;2-1-3/h3-13H,1-2H3;
InChIKeyAOPIZZFXDDOQHB-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.47
Rot. Bonds3

About carbon dioxide;4-phenyl-1-(4-propan-2-ylphenyl)triazole

carbon dioxide;4-phenyl-1-(4-propan-2-ylphenyl)triazole (PubChem CID 157181337) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is carbon dioxide;4-phenyl-1-(4-propan-2-ylphenyl)triazole.

Molecular Properties

Compound Namecarbon dioxide;4-phenyl-1-(4-propan-2-ylphenyl)triazole
PubChem CID157181337
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Namecarbon dioxide;4-phenyl-1-(4-propan-2-ylphenyl)triazole
SMILESCC(C)c1ccc(-n2cc(-c3ccccc3)nn2)cc1.O=C=O
InChIInChI=1S/C17H17N3.CO2/c1-13(2)14-8-10-16(11-9-14)20-12-17(18-19-20)15-6-4-3-5-7-15;2-1-3/h3-13H,1-2H3;
InChIKeyAOPIZZFXDDOQHB-UHFFFAOYSA-N
XLogP3.47
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze carbon dioxide;4-phenyl-1-(4-propan-2-ylphenyl)triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-phenyltriazol-1-yl)phenyl]methanediol
CID 140682391
1-phenyl-4-(4-phenylphenyl)triazole
CID 140714352
[4-(4-phenyltriazol-1-yl)phenyl]borane
CID 143877764
4-[4-(4-phenyltriazol-1-yl)phenyl]benzonitrile
CID 102418496
2-fluoro-4-[1-(4-propan-2-ylphenyl)triazol-4-yl]benzonitrile
CID 167835616
pentafluoro-[4-(4-phenyltriazol-1-yl)phenyl]-λ6-sulfane
CID 102367699
4-phenyl-1-[4-[3,5,7-tris[4-(4-phenyltriazol-1-yl)phenyl]-1-adamantyl]phenyl]triazole
CID 44521623
ethane;4-(1-phenyltriazol-4-yl)benzaldehyde
CID 91438948
4-(4-bromophenyl)-1-phenyltriazole
CID 58349860
4-[1-(3-propan-2-ylphenyl)triazol-4-yl]phenol
CID 156521663
4-(1-bromoethyl)-1-(4-propan-2-ylphenyl)triazole
CID 81444887
4-tert-butyl-1-(4-propan-2-ylphenyl)triazole
CID 168749776

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;4-phenyl-1-(4-propan-2-ylphenyl)triazole?
The IUPAC name of carbon dioxide;4-phenyl-1-(4-propan-2-ylphenyl)triazole (CID 157181337) is carbon dioxide;4-phenyl-1-(4-propan-2-ylphenyl)triazole.
What is the SMILES notation for carbon dioxide;4-phenyl-1-(4-propan-2-ylphenyl)triazole?
The canonical SMILES for carbon dioxide;4-phenyl-1-(4-propan-2-ylphenyl)triazole is CC(C)c1ccc(-n2cc(-c3ccccc3)nn2)cc1.O=C=O.
What is the InChIKey of carbon dioxide;4-phenyl-1-(4-propan-2-ylphenyl)triazole?
The InChIKey is AOPIZZFXDDOQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3.CO2/c1-13(2)14-8-10-16(11-9-14)20-12-17(18-19-20)15-6-4-3-5-7-15;2-1-3/h3-13H,1-2H3;.
What are the key properties of carbon dioxide;4-phenyl-1-(4-propan-2-ylphenyl)triazole?
carbon dioxide;4-phenyl-1-(4-propan-2-ylphenyl)triazole has a molecular weight of 307.35 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;4-phenyl-1-(4-propan-2-ylphenyl)triazole is sourced from PubChem (CID 157181337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).