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

C13H13N7O2 — CID 137052426

IUPAC4-[(4-cyclopropylimino-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESCc1n/c(=N\C2CC2)n2ncc(=Cc3[nH]c(=O)[nH]c3O)c2n1
InChIInChI=1S/C13H13N7O2/c1-6-15-10-7(4-9-11(21)19-13(22)18-9)5-14-20(10)12(16-6)17-8-2-3-8/h4-5,8,21H,2-3H2,1H3,(H2,18,19,22)/b7-4?,17-12+
InChIKeyREUNTEUBDUGRLN-YPGBBQFXSA-N
MW299.29 g/mol
LogP-1.23
Rot. Bonds2

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

4-[(4-cyclopropylimino-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137052426) has the molecular formula C13H13N7O2 and a molecular weight of 299.29 g/mol. Its IUPAC name is 4-[(4-cyclopropylimino-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[(4-cyclopropylimino-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID137052426
Molecular FormulaC13H13N7O2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC Name4-[(4-cyclopropylimino-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESCc1n/c(=N\C2CC2)n2ncc(=Cc3[nH]c(=O)[nH]c3O)c2n1
InChIInChI=1S/C13H13N7O2/c1-6-15-10-7(4-9-11(21)19-13(22)18-9)5-14-20(10)12(16-6)17-8-2-3-8/h4-5,8,21H,2-3H2,1H3,(H2,18,19,22)/b7-4?,17-12+
InChIKeyREUNTEUBDUGRLN-YPGBBQFXSA-N
XLogP-1.23
TPSA124.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(E)-[4-cyclopropylimino-2-(2-methylimidazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137290232
4-[(E)-[4-cyclopropylimino-2-(4-methylsulfonylpiperazin-1-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 136506962
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-[[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
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-[1-(4-fluorophenyl)ethylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137168426
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-[[4-cyclopropylimino-2-(2-fluorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137172855
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-[[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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropylimino-2-methylpyrazolo[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-methylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137052426) is 4-[(4-cyclopropylimino-2-methylpyrazolo[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-methylpyrazolo[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-methylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is Cc1n/c(=N\C2CC2)n2ncc(=Cc3[nH]c(=O)[nH]c3O)c2n1.
What is the InChIKey of 4-[(4-cyclopropylimino-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is REUNTEUBDUGRLN-YPGBBQFXSA-N. The full InChI is InChI=1S/C13H13N7O2/c1-6-15-10-7(4-9-11(21)19-13(22)18-9)5-14-20(10)12(16-6)17-8-2-3-8/h4-5,8,21H,2-3H2,1H3,(H2,18,19,22)/b7-4?,17-12+.
What are the key properties of 4-[(4-cyclopropylimino-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[(4-cyclopropylimino-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 299.29 g/mol, XLogP of -1.23, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropylimino-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137052426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).