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

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

4-[(E)-[4-cyclopropylimino-2-[[4-(dimethylamino)phenyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 136506961) has the molecular formula C21H23N9O2 and a molecular weight of 433.48 g/mol. Its IUPAC name is 4-[(E)-[4-cyclopropylimino-2-[[4-(dimethylamino)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-[(E)-[4-cyclopropylimino-2-[[4-(dimethylamino)phenyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID	136506961
Molecular Formula	C21H23N9O2
Molecular Weight	433.48 g/mol
Exact Mass	433.20
IUPAC Name	4-[(E)-[4-cyclopropylimino-2-[[4-(dimethylamino)phenyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILES	CN(C)c1ccc(CNc2n/c(=N\C3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)cc1
InChI	InChI=1S/C21H23N9O2/c1-29(2)15-7-3-12(4-8-15)10-22-19-26-17-13(9-16-18(31)27-21(32)25-16)11-23-30(17)20(28-19)24-14-5-6-14/h3-4,7-9,11,14,31H,5-6,10H2,1-2H3,(H,22,24,28)(H2,25,27,32)/b13-9+
InChIKey	WXZJPUHZGKWQTB-UKTHLTGXSA-N
XLogP	0.14
TPSA	139.59 Å²
H-Bond Donors	4
H-Bond Acceptors	9
Rotatable Bonds	6
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.48
LogP ≤ 5	0.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[4-cyclopropylimino-2-[[4-(dimethylamino)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-[(E)-[4-cyclopropylimino-2-[[4-(dimethylamino)phenyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 136506961) is 4-[(E)-[4-cyclopropylimino-2-[[4-(dimethylamino)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-[(E)-[4-cyclopropylimino-2-[[4-(dimethylamino)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-[(E)-[4-cyclopropylimino-2-[[4-(dimethylamino)phenyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is CN(C)c1ccc(CNc2n/c(=N\C3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)cc1.

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

The InChIKey is WXZJPUHZGKWQTB-UKTHLTGXSA-N. The full InChI is InChI=1S/C21H23N9O2/c1-29(2)15-7-3-12(4-8-15)10-22-19-26-17-13(9-16-18(31)27-21(32)25-16)11-23-30(17)20(28-19)24-14-5-6-14/h3-4,7-9,11,14,31H,5-6,10H2,1-2H3,(H,22,24,28)(H2,25,27,32)/b13-9+.

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

4-[(E)-[4-cyclopropylimino-2-[[4-(dimethylamino)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 433.48 g/mol, XLogP of 0.14, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(E)-[4-cyclopropylimino-2-[[4-(dimethylamino)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 136506961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).