4-[[4-cyclopropylimino-2-(2,3-dichlorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C18H13Cl2N7O3 — CID 163491588

About 4-[[4-cyclopropylimino-2-(2,3-dichlorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[[4-cyclopropylimino-2-(2,3-dichlorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 163491588) has the molecular formula C18H13Cl2N7O3 and a molecular weight of 446.25 g/mol. Its IUPAC name is 4-[[4-cyclopropylimino-2-(2,3-dichlorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

• Compound Name: 4-[[4-cyclopropylimino-2-(2,3-dichlorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• PubChem CID: 163491588
• Molecular Formula: C18H13Cl2N7O3
• Molecular Weight: 446.25 g/mol
• Exact Mass: 445.05
• IUPAC Name: 4-[[4-cyclopropylimino-2-(2,3-dichlorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• SMILES: O=c1[nH]c(O)c(C=c2cnn3/c(=N/C4CC4)nc(Oc4cccc(Cl)c4Cl)nc23)[nH]1
• InChI: InChI=1S/C18H13Cl2N7O3/c19-10-2-1-3-12(13(10)20)30-18-24-14-8(6-11-15(28)25-17(29)23-11)7-21-27(14)16(26-18)22-9-4-5-9/h1-3,6-7,9,28H,4-5H2,(H2,23,25,29)/b8-6?,22-16+
• InChIKey: OBFIVCGRZFPMAZ-SPIOQYLXSA-N
• XLogP: 1.56
• TPSA: 133.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.25
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[4-cyclopropylimino-2-(2,3-dichlorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The IUPAC name of 4-[[4-cyclopropylimino-2-(2,3-dichlorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 163491588) is 4-[[4-cyclopropylimino-2-(2,3-dichlorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

What is the SMILES notation for 4-[[4-cyclopropylimino-2-(2,3-dichlorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The canonical SMILES for 4-[[4-cyclopropylimino-2-(2,3-dichlorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is O=c1[nH]c(O)c(C=c2cnn3/c(=N/C4CC4)nc(Oc4cccc(Cl)c4Cl)nc23)[nH]1.

What is the InChIKey of 4-[[4-cyclopropylimino-2-(2,3-dichlorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The InChIKey is OBFIVCGRZFPMAZ-SPIOQYLXSA-N. The full InChI is InChI=1S/C18H13Cl2N7O3/c19-10-2-1-3-12(13(10)20)30-18-24-14-8(6-11-15(28)25-17(29)23-11)7-21-27(14)16(26-18)22-9-4-5-9/h1-3,6-7,9,28H,4-5H2,(H2,23,25,29)/b8-6?,22-16+.

What are the key properties of 4-[[4-cyclopropylimino-2-(2,3-dichlorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

4-[[4-cyclopropylimino-2-(2,3-dichlorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 446.25 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-cyclopropylimino-2-(2,3-dichlorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 163491588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).