1-[6-(3-ethylphenoxy)-3-pyridinyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea

C24H24N6O2 — CID 56556789

About 1-[6-(3-ethylphenoxy)-3-pyridinyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea

1-[6-(3-ethylphenoxy)-3-pyridinyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea (PubChem CID 56556789) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 1-[6-(3-ethylphenoxy)-3-pyridinyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea.

Molecular Properties

• Compound Name: 1-[6-(3-ethylphenoxy)-3-pyridinyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea
• PubChem CID: 56556789
• Molecular Formula: C24H24N6O2
• Molecular Weight: 428.50 g/mol
• Exact Mass: 428.20
• IUPAC Name: 1-[6-(3-ethylphenoxy)-3-pyridinyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea
• SMILES: CCc1cccc(Oc2ccc(NC(=O)NC(c3ccccc3)c3n[nH]c(C)n3)cn2)c1
• InChI: InChI=1S/C24H24N6O2/c1-3-17-8-7-11-20(14-17)32-21-13-12-19(15-25-21)27-24(31)28-22(18-9-5-4-6-10-18)23-26-16(2)29-30-23/h4-15,22H,3H2,1-2H3,(H,26,29,30)(H2,27,28,31)
• InChIKey: HSSKBAVANPRSLS-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 104.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.50
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-ethylphenoxy)-3-pyridinyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea?

The IUPAC name of 1-[6-(3-ethylphenoxy)-3-pyridinyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea (CID 56556789) is 1-[6-(3-ethylphenoxy)-3-pyridinyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea.

What is the SMILES notation for 1-[6-(3-ethylphenoxy)-3-pyridinyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea?

The canonical SMILES for 1-[6-(3-ethylphenoxy)-3-pyridinyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea is CCc1cccc(Oc2ccc(NC(=O)NC(c3ccccc3)c3n[nH]c(C)n3)cn2)c1.

What is the InChIKey of 1-[6-(3-ethylphenoxy)-3-pyridinyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea?

The InChIKey is HSSKBAVANPRSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-3-17-8-7-11-20(14-17)32-21-13-12-19(15-25-21)27-24(31)28-22(18-9-5-4-6-10-18)23-26-16(2)29-30-23/h4-15,22H,3H2,1-2H3,(H,26,29,30)(H2,27,28,31).

What are the key properties of 1-[6-(3-ethylphenoxy)-3-pyridinyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea?

1-[6-(3-ethylphenoxy)-3-pyridinyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea has a molecular weight of 428.50 g/mol, XLogP of 4.77, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(3-ethylphenoxy)-3-pyridinyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea is sourced from PubChem (CID 56556789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).