1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea

C15H21N5O2 — CID 111508991

IUPAC1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
SMILESCCc1nncn1CCNC(=O)NC(CO)c1ccccc1
InChIInChI=1S/C15H21N5O2/c1-2-14-19-17-11-20(14)9-8-16-15(22)18-13(10-21)12-6-4-3-5-7-12/h3-7,11,13,21H,2,8-10H2,1H3,(H2,16,18,22)
InChIKeyXCAVGGFDRCQYFD-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.87
Rot. Bonds7

About 1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea

1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea (PubChem CID 111508991) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
PubChem CID111508991
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
SMILESCCc1nncn1CCNC(=O)NC(CO)c1ccccc1
InChIInChI=1S/C15H21N5O2/c1-2-14-19-17-11-20(14)9-8-16-15(22)18-13(10-21)12-6-4-3-5-7-12/h3-7,11,13,21H,2,8-10H2,1H3,(H2,16,18,22)
InChIKeyXCAVGGFDRCQYFD-UHFFFAOYSA-N
XLogP0.87
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea?
The IUPAC name of 1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea (CID 111508991) is 1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea.
What is the SMILES notation for 1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea?
The canonical SMILES for 1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea is CCc1nncn1CCNC(=O)NC(CO)c1ccccc1.
What is the InChIKey of 1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea?
The InChIKey is XCAVGGFDRCQYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-2-14-19-17-11-20(14)9-8-16-15(22)18-13(10-21)12-6-4-3-5-7-12/h3-7,11,13,21H,2,8-10H2,1H3,(H2,16,18,22).
What are the key properties of 1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea?
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea has a molecular weight of 303.37 g/mol, XLogP of 0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea is sourced from PubChem (CID 111508991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).