[2-(4-methoxyphenyl)-5-phenyltriazol-4-yl]urea

C16H15N5O2 — CID 11843723

IUPAC[2-(4-methoxyphenyl)-5-phenyltriazol-4-yl]urea
SMILESCOc1ccc(-n2nc(NC(N)=O)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H15N5O2/c1-23-13-9-7-12(8-10-13)21-19-14(11-5-3-2-4-6-11)15(20-21)18-16(17)22/h2-10H,1H3,(H3,17,18,20,22)
InChIKeyUJFVJDGTTJMVNK-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.43
Rot. Bonds4

About [2-(4-methoxyphenyl)-5-phenyltriazol-4-yl]urea

[2-(4-methoxyphenyl)-5-phenyltriazol-4-yl]urea (PubChem CID 11843723) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-5-phenyltriazol-4-yl]urea.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-5-phenyltriazol-4-yl]urea
PubChem CID11843723
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name[2-(4-methoxyphenyl)-5-phenyltriazol-4-yl]urea
SMILESCOc1ccc(-n2nc(NC(N)=O)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H15N5O2/c1-23-13-9-7-12(8-10-13)21-19-14(11-5-3-2-4-6-11)15(20-21)18-16(17)22/h2-10H,1H3,(H3,17,18,20,22)
InChIKeyUJFVJDGTTJMVNK-UHFFFAOYSA-N
XLogP2.43
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 68909471
2-(4-methoxyphenyl)-5-methyltriazole-4-carbohydrazide
CID 54858922
5-chloro-1-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxylic acid
CID 82364034
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
2-(4-methoxyphenyl)-5-methyltriazole-4-carboxylic acid;3-oxo-N-phenylbutanamide
CID 162243082
(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 10884492
1-[5-amino-3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3-(cyclopropylmethyl)urea
CID 42685255
N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745529
N-(4-bromophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745504
1-(4-methoxyphenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid
CID 3844950
[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 6473283
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-phenoxyacetamide
CID 1004471

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-5-phenyltriazol-4-yl]urea?
The IUPAC name of [2-(4-methoxyphenyl)-5-phenyltriazol-4-yl]urea (CID 11843723) is [2-(4-methoxyphenyl)-5-phenyltriazol-4-yl]urea.
What is the SMILES notation for [2-(4-methoxyphenyl)-5-phenyltriazol-4-yl]urea?
The canonical SMILES for [2-(4-methoxyphenyl)-5-phenyltriazol-4-yl]urea is COc1ccc(-n2nc(NC(N)=O)c(-c3ccccc3)n2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-5-phenyltriazol-4-yl]urea?
The InChIKey is UJFVJDGTTJMVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-23-13-9-7-12(8-10-13)21-19-14(11-5-3-2-4-6-11)15(20-21)18-16(17)22/h2-10H,1H3,(H3,17,18,20,22).
What are the key properties of [2-(4-methoxyphenyl)-5-phenyltriazol-4-yl]urea?
[2-(4-methoxyphenyl)-5-phenyltriazol-4-yl]urea has a molecular weight of 309.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-5-phenyltriazol-4-yl]urea is sourced from PubChem (CID 11843723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).