1-(2-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)urea

C11H13N5O2 — CID 24819059

IUPAC1-(2-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)urea
SMILESCCOc1ccccc1NC(=O)Nn1cnnc1
InChIInChI=1S/C11H13N5O2/c1-2-18-10-6-4-3-5-9(10)14-11(17)15-16-7-12-13-8-16/h3-8H,2H2,1H3,(H2,14,15,17)
InChIKeyXAMFHODJFITDSP-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.45
Rot. Bonds4

About 1-(2-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)urea

1-(2-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)urea (PubChem CID 24819059) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)urea
PubChem CID24819059
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name1-(2-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)urea
SMILESCCOc1ccccc1NC(=O)Nn1cnnc1
InChIInChI=1S/C11H13N5O2/c1-2-18-10-6-4-3-5-9(10)14-11(17)15-16-7-12-13-8-16/h3-8H,2H2,1H3,(H2,14,15,17)
InChIKeyXAMFHODJFITDSP-UHFFFAOYSA-N
XLogP1.45
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-Methoxyphenyl)-2-(1H-1,2,4-triazol-3-ylthio)acetamide
CID 2254375
N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea
CID 971791
1-(2-Methoxy-4-nitrophenyl)-3-(1,2,4-triazol-4-yl)urea
CID 2957350
N-(5-chloro-2-methoxyphenyl)-N'-4H-1,2,4-triazol-4-ylurea
CID 971074
[(2,4-Dimethoxyphenyl)amino](1,2,4-triazol-4-ylamino)methane-1-thione
CID 19687017
N-(2-ethoxyphenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 1511456
2-(4-Amino-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 796221
1-(3,4-Dimethoxyphenyl)-3-(1,2,4-triazol-4-yl)urea
CID 970134
2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 1266411
1-(2-ethoxyphenyl)-3-(4H-1,2,4-triazol-4-yl)thiourea
CID 19687026
1-(3-Methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea
CID 24819570
2-Ethoxy-N-[(1E)-3,4,4-trichloro-2-nitro-1-(1H-1,2,4-triazol-1-YL)buta-1,3-dien-1-YL]aniline
CID 5775976

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)urea (CID 24819059) is 1-(2-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)urea is CCOc1ccccc1NC(=O)Nn1cnnc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)urea?
The InChIKey is XAMFHODJFITDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-2-18-10-6-4-3-5-9(10)14-11(17)15-16-7-12-13-8-16/h3-8H,2H2,1H3,(H2,14,15,17).
What are the key properties of 1-(2-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)urea?
1-(2-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)urea has a molecular weight of 247.26 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)urea is sourced from PubChem (CID 24819059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).