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

C21H19N11O2 — CID 137061426

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

4-[[4-cyclopropylimino-2-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137061426) has the molecular formula C21H19N11O2 and a molecular weight of 457.46 g/mol. Its IUPAC name is 4-[[4-cyclopropylimino-2-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]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-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• PubChem CID: 137061426
• Molecular Formula: C21H19N11O2
• Molecular Weight: 457.46 g/mol
• Exact Mass: 457.17
• IUPAC Name: 4-[[4-cyclopropylimino-2-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]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(NCc4ccccc4-n4cncn4)nc23)[nH]1
• InChI: InChI=1S/C21H19N11O2/c33-18-15(27-21(34)29-18)7-13-9-24-32-17(13)28-19(30-20(32)26-14-5-6-14)23-8-12-3-1-2-4-16(12)31-11-22-10-25-31/h1-4,7,9-11,14,33H,5-6,8H2,(H,23,26,30)(H2,27,29,34)
• InChIKey: VCIZFEKKOYWBHS-UHFFFAOYSA-N
• XLogP: -0.35
• TPSA: 167.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.46
LogP ≤ 5	-0.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-[[4-cyclopropylimino-2-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]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-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137061426) is 4-[[4-cyclopropylimino-2-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]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-(1,2,4-triazol-1-yl)phenyl]methylamino]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-(1,2,4-triazol-1-yl)phenyl]methylamino]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(NCc4ccccc4-n4cncn4)nc23)[nH]1.

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

The InChIKey is VCIZFEKKOYWBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N11O2/c33-18-15(27-21(34)29-18)7-13-9-24-32-17(13)28-19(30-20(32)26-14-5-6-14)23-8-12-3-1-2-4-16(12)31-11-22-10-25-31/h1-4,7,9-11,14,33H,5-6,8H2,(H,23,26,30)(H2,27,29,34).

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

4-[[4-cyclopropylimino-2-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 457.46 g/mol, XLogP of -0.35, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-cyclopropylimino-2-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137061426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).