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

C15H18N8O4S — CID 163810357

IUPAC4-[[4-cyclopropylimino-2-(2-methylsulfonylethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESCS(=O)(=O)CCNc1n/c(=N\C2CC2)n2ncc(=Cc3[nH]c(=O)[nH]c3O)c2n1
InChIInChI=1S/C15H18N8O4S/c1-28(26,27)5-4-16-13-20-11-8(6-10-12(24)21-15(25)19-10)7-17-23(11)14(22-13)18-9-2-3-9/h6-7,9,24H,2-5H2,1H3,(H,16,18,22)(H2,19,21,25)
InChIKeyQPMXHMDRXMOLQN-UHFFFAOYSA-N
MW406.43 g/mol
LogP-2.09
Rot. Bonds6

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

4-[[4-cyclopropylimino-2-(2-methylsulfonylethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 163810357) has the molecular formula C15H18N8O4S and a molecular weight of 406.43 g/mol. Its IUPAC name is 4-[[4-cyclopropylimino-2-(2-methylsulfonylethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[[4-cyclopropylimino-2-(2-methylsulfonylethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID163810357
Molecular FormulaC15H18N8O4S
Molecular Weight406.43 g/mol
Exact Mass406.12
IUPAC Name4-[[4-cyclopropylimino-2-(2-methylsulfonylethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESCS(=O)(=O)CCNc1n/c(=N\C2CC2)n2ncc(=Cc3[nH]c(=O)[nH]c3O)c2n1
InChIInChI=1S/C15H18N8O4S/c1-28(26,27)5-4-16-13-20-11-8(6-10-12(24)21-15(25)19-10)7-17-23(11)14(22-13)18-9-2-3-9/h6-7,9,24H,2-5H2,1H3,(H,16,18,22)(H2,19,21,25)
InChIKeyQPMXHMDRXMOLQN-UHFFFAOYSA-N
XLogP-2.09
TPSA170.49 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

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
N-[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]cyclohexyl]propanamide
CID 137316448
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-[[[(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-[(2,4-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-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
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-[(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-[[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-[[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-2-[1-(4-fluorophenyl)ethylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137168426

Frequently Asked Questions

What is the IUPAC name of 4-[[4-cyclopropylimino-2-(2-methylsulfonylethylamino)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-methylsulfonylethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 163810357) is 4-[[4-cyclopropylimino-2-(2-methylsulfonylethylamino)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-methylsulfonylethylamino)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-methylsulfonylethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is CS(=O)(=O)CCNc1n/c(=N\C2CC2)n2ncc(=Cc3[nH]c(=O)[nH]c3O)c2n1.
What is the InChIKey of 4-[[4-cyclopropylimino-2-(2-methylsulfonylethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is QPMXHMDRXMOLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O4S/c1-28(26,27)5-4-16-13-20-11-8(6-10-12(24)21-15(25)19-10)7-17-23(11)14(22-13)18-9-2-3-9/h6-7,9,24H,2-5H2,1H3,(H,16,18,22)(H2,19,21,25).
What are the key properties of 4-[[4-cyclopropylimino-2-(2-methylsulfonylethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[[4-cyclopropylimino-2-(2-methylsulfonylethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 406.43 g/mol, XLogP of -2.09, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-cyclopropylimino-2-(2-methylsulfonylethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 163810357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).