1-(2-ethylphenyl)-3-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]urea

C20H23N5O2 — CID 50801462

IUPAC1-(2-ethylphenyl)-3-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]urea
SMILESCCc1ccccc1NC(=O)NCCc1nc(-c2ccc(OC)cc2)n[nH]1
InChIInChI=1S/C20H23N5O2/c1-3-14-6-4-5-7-17(14)22-20(26)21-13-12-18-23-19(25-24-18)15-8-10-16(27-2)11-9-15/h4-11H,3,12-13H2,1-2H3,(H2,21,22,26)(H,23,24,25)
InChIKeyINKYXXFLHYQLDN-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.41
Rot. Bonds7

About 1-(2-ethylphenyl)-3-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]urea

1-(2-ethylphenyl)-3-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]urea (PubChem CID 50801462) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]urea
PubChem CID50801462
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1-(2-ethylphenyl)-3-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]urea
SMILESCCc1ccccc1NC(=O)NCCc1nc(-c2ccc(OC)cc2)n[nH]1
InChIInChI=1S/C20H23N5O2/c1-3-14-6-4-5-7-17(14)22-20(26)21-13-12-18-23-19(25-24-18)15-8-10-16(27-2)11-9-15/h4-11H,3,12-13H2,1-2H3,(H2,21,22,26)(H,23,24,25)
InChIKeyINKYXXFLHYQLDN-UHFFFAOYSA-N
XLogP3.41
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide
CID 53090148
1-[3-bromo-2-(methoxymethyl)phenyl]-3-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]urea
CID 99800218
1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 17379696
1-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-3-ethylurea
CID 127266866
1-ethyl-2-[(2-ethylphenyl)methyl]-3-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]guanidine
CID 111635320
2-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 75508297
4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 53008569
N-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 20851576
N-(2-ethylphenyl)-2-[[2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]amino]acetamide
CID 24543900
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]butanamide
CID 50801460
(2S)-2-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide;hydrochloride
CID 119319166

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]urea?
The IUPAC name of 1-(2-ethylphenyl)-3-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]urea (CID 50801462) is 1-(2-ethylphenyl)-3-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]urea is CCc1ccccc1NC(=O)NCCc1nc(-c2ccc(OC)cc2)n[nH]1.
What is the InChIKey of 1-(2-ethylphenyl)-3-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]urea?
The InChIKey is INKYXXFLHYQLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-3-14-6-4-5-7-17(14)22-20(26)21-13-12-18-23-19(25-24-18)15-8-10-16(27-2)11-9-15/h4-11H,3,12-13H2,1-2H3,(H2,21,22,26)(H,23,24,25).
What are the key properties of 1-(2-ethylphenyl)-3-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]urea?
1-(2-ethylphenyl)-3-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]urea has a molecular weight of 365.44 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]urea is sourced from PubChem (CID 50801462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).