1-[4-[4-(2-methoxyethyl)triazol-1-yl]phenyl]-3-(2-methylphenyl)urea

C19H21N5O2 — CID 122455285

IUPAC1-[4-[4-(2-methoxyethyl)triazol-1-yl]phenyl]-3-(2-methylphenyl)urea
SMILESCOCCc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1
InChIInChI=1S/C19H21N5O2/c1-14-5-3-4-6-18(14)21-19(25)20-15-7-9-17(10-8-15)24-13-16(22-23-24)11-12-26-2/h3-10,13H,11-12H2,1-2H3,(H2,20,21,25)
InChIKeyVOYCYVBAEZADNE-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.41
Rot. Bonds6

About 1-[4-[4-(2-methoxyethyl)triazol-1-yl]phenyl]-3-(2-methylphenyl)urea

1-[4-[4-(2-methoxyethyl)triazol-1-yl]phenyl]-3-(2-methylphenyl)urea (PubChem CID 122455285) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[4-[4-(2-methoxyethyl)triazol-1-yl]phenyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-[4-(2-methoxyethyl)triazol-1-yl]phenyl]-3-(2-methylphenyl)urea
PubChem CID122455285
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-[4-[4-(2-methoxyethyl)triazol-1-yl]phenyl]-3-(2-methylphenyl)urea
SMILESCOCCc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1
InChIInChI=1S/C19H21N5O2/c1-14-5-3-4-6-18(14)21-19(25)20-15-7-9-17(10-8-15)24-13-16(22-23-24)11-12-26-2/h3-10,13H,11-12H2,1-2H3,(H2,20,21,25)
InChIKeyVOYCYVBAEZADNE-UHFFFAOYSA-N
XLogP3.41
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-methoxyethyl)triazol-1-yl]phenyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[4-[4-(2-methoxyethyl)triazol-1-yl]phenyl]-3-(2-methylphenyl)urea (CID 122455285) is 1-[4-[4-(2-methoxyethyl)triazol-1-yl]phenyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[4-[4-(2-methoxyethyl)triazol-1-yl]phenyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[4-[4-(2-methoxyethyl)triazol-1-yl]phenyl]-3-(2-methylphenyl)urea is COCCc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1.
What is the InChIKey of 1-[4-[4-(2-methoxyethyl)triazol-1-yl]phenyl]-3-(2-methylphenyl)urea?
The InChIKey is VOYCYVBAEZADNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-14-5-3-4-6-18(14)21-19(25)20-15-7-9-17(10-8-15)24-13-16(22-23-24)11-12-26-2/h3-10,13H,11-12H2,1-2H3,(H2,20,21,25).
What are the key properties of 1-[4-[4-(2-methoxyethyl)triazol-1-yl]phenyl]-3-(2-methylphenyl)urea?
1-[4-[4-(2-methoxyethyl)triazol-1-yl]phenyl]-3-(2-methylphenyl)urea has a molecular weight of 351.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-methoxyethyl)triazol-1-yl]phenyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 122455285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).