1-dibenzofuran-3-yl-3-[2-(triazol-1-yl)ethyl]urea

C17H15N5O2 — CID 75476584

IUPAC1-dibenzofuran-3-yl-3-[2-(triazol-1-yl)ethyl]urea
SMILESO=C(NCCn1ccnn1)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C17H15N5O2/c23-17(18-7-9-22-10-8-19-21-22)20-12-5-6-14-13-3-1-2-4-15(13)24-16(14)11-12/h1-6,8,10-11H,7,9H2,(H2,18,20,23)
InChIKeyWONKZTUSERAGKR-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.00
Rot. Bonds4

About 1-dibenzofuran-3-yl-3-[2-(triazol-1-yl)ethyl]urea

1-dibenzofuran-3-yl-3-[2-(triazol-1-yl)ethyl]urea (PubChem CID 75476584) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 1-dibenzofuran-3-yl-3-[2-(triazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-dibenzofuran-3-yl-3-[2-(triazol-1-yl)ethyl]urea
PubChem CID75476584
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name1-dibenzofuran-3-yl-3-[2-(triazol-1-yl)ethyl]urea
SMILESO=C(NCCn1ccnn1)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C17H15N5O2/c23-17(18-7-9-22-10-8-19-21-22)20-12-5-6-14-13-3-1-2-4-15(13)24-16(14)11-12/h1-6,8,10-11H,7,9H2,(H2,18,20,23)
InChIKeyWONKZTUSERAGKR-UHFFFAOYSA-N
XLogP3.00
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-3-yl-3-[2-(triazol-1-yl)ethyl]urea?
The IUPAC name of 1-dibenzofuran-3-yl-3-[2-(triazol-1-yl)ethyl]urea (CID 75476584) is 1-dibenzofuran-3-yl-3-[2-(triazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-dibenzofuran-3-yl-3-[2-(triazol-1-yl)ethyl]urea?
The canonical SMILES for 1-dibenzofuran-3-yl-3-[2-(triazol-1-yl)ethyl]urea is O=C(NCCn1ccnn1)Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 1-dibenzofuran-3-yl-3-[2-(triazol-1-yl)ethyl]urea?
The InChIKey is WONKZTUSERAGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c23-17(18-7-9-22-10-8-19-21-22)20-12-5-6-14-13-3-1-2-4-15(13)24-16(14)11-12/h1-6,8,10-11H,7,9H2,(H2,18,20,23).
What are the key properties of 1-dibenzofuran-3-yl-3-[2-(triazol-1-yl)ethyl]urea?
1-dibenzofuran-3-yl-3-[2-(triazol-1-yl)ethyl]urea has a molecular weight of 321.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-3-yl-3-[2-(triazol-1-yl)ethyl]urea is sourced from PubChem (CID 75476584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).