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

C20H21N9O2 — CID 137317546

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

4-[(E)-[4-cyclopropylimino-2-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137317546) has the molecular formula C20H21N9O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is 4-[(E)-[4-cyclopropylimino-2-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]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-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• PubChem CID: 137317546
• Molecular Formula: C20H21N9O2
• Molecular Weight: 419.45 g/mol
• Exact Mass: 419.18
• IUPAC Name: 4-[(E)-[4-cyclopropylimino-2-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• SMILES: Cc1cc(CN(C)c2n/c(=N\C3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)ccn1
• InChI: InChI=1S/C20H21N9O2/c1-11-7-12(5-6-21-11)10-28(2)18-25-16-13(8-15-17(30)26-20(31)24-15)9-22-29(16)19(27-18)23-14-3-4-14/h5-9,14,30H,3-4,10H2,1-2H3,(H2,24,26,31)/b13-8+,23-19+
• InChIKey: ILAMCUXHMVXZFU-RQLCIQNHSA-N
• XLogP: -0.20
• TPSA: 140.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.45
LogP ≤ 5	-0.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[4-cyclopropylimino-2-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]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-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137317546) is 4-[(E)-[4-cyclopropylimino-2-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]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-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]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-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is Cc1cc(CN(C)c2n/c(=N\C3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)ccn1.

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

The InChIKey is ILAMCUXHMVXZFU-RQLCIQNHSA-N. The full InChI is InChI=1S/C20H21N9O2/c1-11-7-12(5-6-21-11)10-28(2)18-25-16-13(8-15-17(30)26-20(31)24-15)9-22-29(16)19(27-18)23-14-3-4-14/h5-9,14,30H,3-4,10H2,1-2H3,(H2,24,26,31)/b13-8+,23-19+.

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

4-[(E)-[4-cyclopropylimino-2-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 419.45 g/mol, XLogP of -0.20, 5 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-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137317546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).