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

C16H15N9O2 — CID 137290232

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

4-[(E)-[4-cyclopropylimino-2-(2-methylimidazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137290232) has the molecular formula C16H15N9O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 4-[(E)-[4-cyclopropylimino-2-(2-methylimidazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

• Compound Name: 4-[(E)-[4-cyclopropylimino-2-(2-methylimidazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• PubChem CID: 137290232
• Molecular Formula: C16H15N9O2
• Molecular Weight: 365.36 g/mol
• Exact Mass: 365.13
• IUPAC Name: 4-[(E)-[4-cyclopropylimino-2-(2-methylimidazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• SMILES: Cc1nccn1-c1n/c(=N\C2CC2)n2nc/c(=C\c3[nH]c(=O)[nH]c3O)c2n1
• InChI: InChI=1S/C16H15N9O2/c1-8-17-4-5-24(8)14-21-12-9(6-11-13(26)22-16(27)20-11)7-18-25(12)15(23-14)19-10-2-3-10/h4-7,10,26H,2-3H2,1H3,(H2,20,22,27)/b9-6+,19-15+
• InChIKey: XWPBREGIQWSQDQ-MWTFMFNDSA-N
• XLogP: -1.05
• TPSA: 142.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.36
LogP ≤ 5	-1.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 4-[(E)-[4-cyclopropylimino-2-(2-methylimidazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137290232) is 4-[(E)-[4-cyclopropylimino-2-(2-methylimidazol-1-yl)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-[(E)-[4-cyclopropylimino-2-(2-methylimidazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The canonical SMILES for 4-[(E)-[4-cyclopropylimino-2-(2-methylimidazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is Cc1nccn1-c1n/c(=N\C2CC2)n2nc/c(=C\c3[nH]c(=O)[nH]c3O)c2n1.

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

The InChIKey is XWPBREGIQWSQDQ-MWTFMFNDSA-N. The full InChI is InChI=1S/C16H15N9O2/c1-8-17-4-5-24(8)14-21-12-9(6-11-13(26)22-16(27)20-11)7-18-25(12)15(23-14)19-10-2-3-10/h4-7,10,26H,2-3H2,1H3,(H2,20,22,27)/b9-6+,19-15+.

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

4-[(E)-[4-cyclopropylimino-2-(2-methylimidazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 365.36 g/mol, XLogP of -1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(E)-[4-cyclopropylimino-2-(2-methylimidazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137290232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).