4-[[2-[(4-bromophenyl)methylamino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C19H17BrN8O2 — CID 154045387

IUPAC4-[[2-[(4-bromophenyl)methylamino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(C=c2cnn3/c(=N/C4CC4)nc(NCc4ccc(Br)cc4)nc23)[nH]1
InChIInChI=1S/C19H17BrN8O2/c20-12-3-1-10(2-4-12)8-21-17-25-15-11(7-14-16(29)26-19(30)24-14)9-22-28(15)18(27-17)23-13-5-6-13/h1-4,7,9,13,29H,5-6,8H2,(H,21,23,27)(H2,24,26,30)
InChIKeyFNVCXGVYDDPICE-UHFFFAOYSA-N
MW469.30 g/mol
LogP0.83
Rot. Bonds5

About 4-[[2-[(4-bromophenyl)methylamino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[[2-[(4-bromophenyl)methylamino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 154045387) has the molecular formula C19H17BrN8O2 and a molecular weight of 469.30 g/mol. Its IUPAC name is 4-[[2-[(4-bromophenyl)methylamino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[[2-[(4-bromophenyl)methylamino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID154045387
Molecular FormulaC19H17BrN8O2
Molecular Weight469.30 g/mol
Exact Mass468.07
IUPAC Name4-[[2-[(4-bromophenyl)methylamino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(C=c2cnn3/c(=N/C4CC4)nc(NCc4ccc(Br)cc4)nc23)[nH]1
InChIInChI=1S/C19H17BrN8O2/c20-12-3-1-10(2-4-12)8-21-17-25-15-11(7-14-16(29)26-19(30)24-14)9-22-28(15)18(27-17)23-13-5-6-13/h1-4,7,9,13,29H,5-6,8H2,(H,21,23,27)(H2,24,26,30)
InChIKeyFNVCXGVYDDPICE-UHFFFAOYSA-N
XLogP0.83
TPSA136.35 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.30
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

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
4-[[[(8E)-4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]methyl]-N,N-dimethylbenzamide
CID 137303089
4-[(E)-[2-[(3-chloro-4-fluorophenyl)methylamino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 136602840
4-[[4-cyclopropylimino-2-[(2,4-difluorophenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 163827031
4-[(E)-[4-cyclopropylimino-2-[(2,3-dichlorophenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 136506946
4-[[4-cyclopropylimino-2-(2-methylsulfonylethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 163810357
4-[[2-[(3-chloro-2-fluorophenyl)methylamino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137021772
4-[(E)-[4-cyclopropylimino-2-[2-(2,2,2-trifluoroethyl)hydrazinyl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137303060
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
4-[(4-cyclopropylimino-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137052426
4-[[4-cyclopropylimino-2-(3-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 173493147
4-[(E)-[4-cyclopropylimino-2-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137283352

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-bromophenyl)methylamino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[[2-[(4-bromophenyl)methylamino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 154045387) is 4-[[2-[(4-bromophenyl)methylamino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[[2-[(4-bromophenyl)methylamino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[[2-[(4-bromophenyl)methylamino]-4-cyclopropyliminopyrazolo[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(NCc4ccc(Br)cc4)nc23)[nH]1.
What is the InChIKey of 4-[[2-[(4-bromophenyl)methylamino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is FNVCXGVYDDPICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN8O2/c20-12-3-1-10(2-4-12)8-21-17-25-15-11(7-14-16(29)26-19(30)24-14)9-22-28(15)18(27-17)23-13-5-6-13/h1-4,7,9,13,29H,5-6,8H2,(H,21,23,27)(H2,24,26,30).
What are the key properties of 4-[[2-[(4-bromophenyl)methylamino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[[2-[(4-bromophenyl)methylamino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 469.30 g/mol, XLogP of 0.83, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-bromophenyl)methylamino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 154045387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).