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

C19H16Cl2N8O2 — CID 136506946

IUPAC4-[(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
SMILESO=c1[nH]c(O)c(/C=c2\cnn3/c(=N/C4CC4)nc(NCc4cccc(Cl)c4Cl)nc23)[nH]1
InChIInChI=1S/C19H16Cl2N8O2/c20-12-3-1-2-9(14(12)21)7-22-17-26-15-10(6-13-16(30)27-19(31)25-13)8-23-29(15)18(28-17)24-11-4-5-11/h1-3,6,8,11,30H,4-5,7H2,(H,22,24,28)(H2,25,27,31)/b10-6+
InChIKeyPOWBDPGPTYRMEE-UXBLZVDNSA-N
MW459.30 g/mol
LogP1.38
Rot. Bonds5

About 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

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 (PubChem CID 136506946) has the molecular formula C19H16Cl2N8O2 and a molecular weight of 459.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[(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
PubChem CID136506946
Molecular FormulaC19H16Cl2N8O2
Molecular Weight459.30 g/mol
Exact Mass458.08
IUPAC Name4-[(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
SMILESO=c1[nH]c(O)c(/C=c2\cnn3/c(=N/C4CC4)nc(NCc4cccc(Cl)c4Cl)nc23)[nH]1
InChIInChI=1S/C19H16Cl2N8O2/c20-12-3-1-2-9(14(12)21)7-22-17-26-15-10(6-13-16(30)27-19(31)25-13)8-23-29(15)18(28-17)24-11-4-5-11/h1-3,6,8,11,30H,4-5,7H2,(H,22,24,28)(H2,25,27,31)/b10-6+
InChIKeyPOWBDPGPTYRMEE-UXBLZVDNSA-N
XLogP1.38
TPSA136.35 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.30
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

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-[[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-[[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
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-(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-(2,3-dichlorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 163491588
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-[[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-[[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
4-[[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexane-1-carboxamide
CID 137078420

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=c1[nH]c(O)c(/C=c2\cnn3/c(=N/C4CC4)nc(NCc4cccc(Cl)c4Cl)nc23)[nH]1.
What is the InChIKey of 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?
The InChIKey is POWBDPGPTYRMEE-UXBLZVDNSA-N. The full InChI is InChI=1S/C19H16Cl2N8O2/c20-12-3-1-2-9(14(12)21)7-22-17-26-15-10(6-13-16(30)27-19(31)25-13)8-23-29(15)18(28-17)24-11-4-5-11/h1-3,6,8,11,30H,4-5,7H2,(H,22,24,28)(H2,25,27,31)/b10-6+.
What are the key properties of 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?
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 has a molecular weight of 459.30 g/mol, XLogP of 1.38, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 136506946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).