1-(2-methoxyphenyl)-3-(5-phenyl-1H-1,2,4-triazol-3-yl)urea

C16H15N5O2 — CID 4885273

IUPAC1-(2-methoxyphenyl)-3-(5-phenyl-1H-1,2,4-triazol-3-yl)urea
SMILESCOc1ccccc1NC(=O)Nc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C16H15N5O2/c1-23-13-10-6-5-9-12(13)17-16(22)19-15-18-14(20-21-15)11-7-3-2-4-8-11/h2-10H,1H3,(H3,17,18,19,20,21,22)
InChIKeyFSGLHDPNBSOZED-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.12
Rot. Bonds4

About 1-(2-methoxyphenyl)-3-(5-phenyl-1H-1,2,4-triazol-3-yl)urea

1-(2-methoxyphenyl)-3-(5-phenyl-1H-1,2,4-triazol-3-yl)urea (PubChem CID 4885273) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(5-phenyl-1H-1,2,4-triazol-3-yl)urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(5-phenyl-1H-1,2,4-triazol-3-yl)urea
PubChem CID4885273
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name1-(2-methoxyphenyl)-3-(5-phenyl-1H-1,2,4-triazol-3-yl)urea
SMILESCOc1ccccc1NC(=O)Nc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C16H15N5O2/c1-23-13-10-6-5-9-12(13)17-16(22)19-15-18-14(20-21-15)11-7-3-2-4-8-11/h2-10H,1H3,(H3,17,18,19,20,21,22)
InChIKeyFSGLHDPNBSOZED-UHFFFAOYSA-N
XLogP3.12
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(5-phenyl-1H-1,2,4-triazol-3-yl)urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-(5-phenyl-1H-1,2,4-triazol-3-yl)urea (CID 4885273) is 1-(2-methoxyphenyl)-3-(5-phenyl-1H-1,2,4-triazol-3-yl)urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(5-phenyl-1H-1,2,4-triazol-3-yl)urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(5-phenyl-1H-1,2,4-triazol-3-yl)urea is COc1ccccc1NC(=O)Nc1n[nH]c(-c2ccccc2)n1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(5-phenyl-1H-1,2,4-triazol-3-yl)urea?
The InChIKey is FSGLHDPNBSOZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-23-13-10-6-5-9-12(13)17-16(22)19-15-18-14(20-21-15)11-7-3-2-4-8-11/h2-10H,1H3,(H3,17,18,19,20,21,22).
What are the key properties of 1-(2-methoxyphenyl)-3-(5-phenyl-1H-1,2,4-triazol-3-yl)urea?
1-(2-methoxyphenyl)-3-(5-phenyl-1H-1,2,4-triazol-3-yl)urea has a molecular weight of 309.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(5-phenyl-1H-1,2,4-triazol-3-yl)urea is sourced from PubChem (CID 4885273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).