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

C19H18N8O2 — CID 173493147

IUPAC4-[[4-cyclopropylimino-2-(3-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESCc1cccc(Nc2n/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)c1
InChIInChI=1S/C19H18N8O2/c1-10-3-2-4-13(7-10)21-17-24-15-11(8-14-16(28)25-19(29)23-14)9-20-27(15)18(26-17)22-12-5-6-12/h2-4,7-9,12,28H,5-6H2,1H3,(H,21,22,26)(H2,23,25,29)
InChIKeyMONZLINEPOQOBF-UHFFFAOYSA-N
MW390.41 g/mol
LogP0.51
Rot. Bonds4

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

4-[[4-cyclopropylimino-2-(3-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 173493147) has the molecular formula C19H18N8O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is 4-[[4-cyclopropylimino-2-(3-methylanilino)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-(3-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID173493147
Molecular FormulaC19H18N8O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name4-[[4-cyclopropylimino-2-(3-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESCc1cccc(Nc2n/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)c1
InChIInChI=1S/C19H18N8O2/c1-10-3-2-4-13(7-10)21-17-24-15-11(8-14-16(28)25-19(29)23-14)9-20-27(15)18(26-17)22-12-5-6-12/h2-4,7-9,12,28H,5-6H2,1H3,(H,21,22,26)(H2,23,25,29)
InChIKeyMONZLINEPOQOBF-UHFFFAOYSA-N
XLogP0.51
TPSA136.35 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[4-cyclopropylimino-2-[3-(pyrrolidin-1-ylmethyl)anilino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 163765153
4-[[2-[3-chloro-4-(1-hydroxyethyl)anilino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 173493173
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-[(E)-[4-cyclopropylimino-2-[1-(5-methyl-2-pyridinyl)propylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137289885
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-[(E)-[4-cyclopropylimino-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137289942
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-[[2-[[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]amino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137072247
4-[[4-cyclopropylimino-2-(1-pyridin-2-ylpropylamino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 163621874
4-[[2-[[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]amino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;methane
CID 160997160
4-[[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137036902

Frequently Asked Questions

What is the IUPAC name of 4-[[4-cyclopropylimino-2-(3-methylanilino)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-(3-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 173493147) is 4-[[4-cyclopropylimino-2-(3-methylanilino)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-(3-methylanilino)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-(3-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is Cc1cccc(Nc2n/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)c1.
What is the InChIKey of 4-[[4-cyclopropylimino-2-(3-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is MONZLINEPOQOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O2/c1-10-3-2-4-13(7-10)21-17-24-15-11(8-14-16(28)25-19(29)23-14)9-20-27(15)18(26-17)22-12-5-6-12/h2-4,7-9,12,28H,5-6H2,1H3,(H,21,22,26)(H2,23,25,29).
What are the key properties of 4-[[4-cyclopropylimino-2-(3-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[[4-cyclopropylimino-2-(3-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 390.41 g/mol, XLogP of 0.51, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-cyclopropylimino-2-(3-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 173493147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).