carbon dioxide;4-(3-ethenylphenoxy)-5-ethyl-2H-triazole

C13H13N3O3 — CID 176545241

IUPACcarbon dioxide;4-(3-ethenylphenoxy)-5-ethyl-2H-triazole
SMILESC=Cc1cccc(Oc2n[nH]nc2CC)c1.O=C=O
InChIInChI=1S/C12H13N3O.CO2/c1-3-9-6-5-7-10(8-9)16-12-11(4-2)13-15-14-12;2-1-3/h3,5-8H,1,4H2,2H3,(H,13,14,15);
InChIKeyCQRYRDUNDFVDPO-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.22
Rot. Bonds4

About carbon dioxide;4-(3-ethenylphenoxy)-5-ethyl-2H-triazole

carbon dioxide;4-(3-ethenylphenoxy)-5-ethyl-2H-triazole (PubChem CID 176545241) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is carbon dioxide;4-(3-ethenylphenoxy)-5-ethyl-2H-triazole.

Molecular Properties

Compound Namecarbon dioxide;4-(3-ethenylphenoxy)-5-ethyl-2H-triazole
PubChem CID176545241
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Namecarbon dioxide;4-(3-ethenylphenoxy)-5-ethyl-2H-triazole
SMILESC=Cc1cccc(Oc2n[nH]nc2CC)c1.O=C=O
InChIInChI=1S/C12H13N3O.CO2/c1-3-9-6-5-7-10(8-9)16-12-11(4-2)13-15-14-12;2-1-3/h3,5-8H,1,4H2,2H3,(H,13,14,15);
InChIKeyCQRYRDUNDFVDPO-UHFFFAOYSA-N
XLogP2.22
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-butyl-5-phenoxy-2H-triazole
CID 53700776
4-phenoxy-5-prop-2-enyl-2H-triazole
CID 70449939
4-phenoxy-5-phenyl-2H-triazole;hydrate
CID 141155082
3-[(5-ethyl-2H-triazol-4-yl)oxy]benzaldehyde
CID 155653362
4-ethyl-5-(3-ethynylphenoxy)-2H-triazole
CID 155653409
4-ethyl-5-(4-pentan-3-ylphenoxy)-2H-triazole
CID 155653413
4-(3-ethenylphenoxy)-5-ethyl-2H-triazole
CID 155653465
2-[3-[(5-ethyl-2H-triazol-4-yl)oxy]phenyl]ethynyl-tri(propan-2-yl)silane
CID 155653505
[5-[3-(3-methylbut-1-ynyl)phenoxy]-2H-triazol-4-yl]methanediol
CID 156103906
[5-(3-pent-1-ynylphenoxy)-2H-triazol-4-yl]methanediol
CID 156104127
4-ethyl-5-[(3-methoxyphenyl)methyl]-2H-triazole
CID 173566256
4-[(3-methoxyphenyl)methyl]-5-methyl-2H-triazole
CID 173566349

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;4-(3-ethenylphenoxy)-5-ethyl-2H-triazole?
The IUPAC name of carbon dioxide;4-(3-ethenylphenoxy)-5-ethyl-2H-triazole (CID 176545241) is carbon dioxide;4-(3-ethenylphenoxy)-5-ethyl-2H-triazole.
What is the SMILES notation for carbon dioxide;4-(3-ethenylphenoxy)-5-ethyl-2H-triazole?
The canonical SMILES for carbon dioxide;4-(3-ethenylphenoxy)-5-ethyl-2H-triazole is C=Cc1cccc(Oc2n[nH]nc2CC)c1.O=C=O.
What is the InChIKey of carbon dioxide;4-(3-ethenylphenoxy)-5-ethyl-2H-triazole?
The InChIKey is CQRYRDUNDFVDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O.CO2/c1-3-9-6-5-7-10(8-9)16-12-11(4-2)13-15-14-12;2-1-3/h3,5-8H,1,4H2,2H3,(H,13,14,15);.
What are the key properties of carbon dioxide;4-(3-ethenylphenoxy)-5-ethyl-2H-triazole?
carbon dioxide;4-(3-ethenylphenoxy)-5-ethyl-2H-triazole has a molecular weight of 259.26 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;4-(3-ethenylphenoxy)-5-ethyl-2H-triazole is sourced from PubChem (CID 176545241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).