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

C13H15N7O2 — CID 123654827

IUPAC4-[[4-(cyclopropylamino)-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one
SMILESCc1nc(NC2CC2)n2ncc(CC3=NC(O)NC3=O)c2n1
InChIInChI=1S/C13H15N7O2/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/h5,8,13,22H,2-4H2,1H3,(H,19,21)(H,15,16,17)
InChIKeyBJDDTMOFFOKOJR-UHFFFAOYSA-N
MW301.31 g/mol
LogP-0.60
Rot. Bonds4

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

4-[[4-(cyclopropylamino)-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one (PubChem CID 123654827) has the molecular formula C13H15N7O2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 4-[[4-(cyclopropylamino)-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-[[4-(cyclopropylamino)-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one
PubChem CID123654827
Molecular FormulaC13H15N7O2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name4-[[4-(cyclopropylamino)-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one
SMILESCc1nc(NC2CC2)n2ncc(CC3=NC(O)NC3=O)c2n1
InChIInChI=1S/C13H15N7O2/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/h5,8,13,22H,2-4H2,1H3,(H,19,21)(H,15,16,17)
InChIKeyBJDDTMOFFOKOJR-UHFFFAOYSA-N
XLogP-0.60
TPSA116.80 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-hydroxy-3-[4-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide
CID 9861266
3-[2-Methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanoic acid
CID 10014295
N-hydroxy-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentanamide
CID 10265557
N-hydroxy-3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide
CID 10399844
N-methyl-3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide
CID 69867698
3-[4-(Methylamino)-2-propylpyrazolo[1,5-a][1,3,5]triazin-8-yl]propanoic acid
CID 90801411
N-hydroxy-3-[4-(methylamino)-2-propylpyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide
CID 90956787
3-[2-Methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]butanamide
CID 91543171
1-Tert-butyl-3-[7-(cyclopropylamino)-3-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]urea
CID 123215714
4-[[7-(Cyclopropylamino)-5-(2,6-dimethylmorpholin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-1,2-dihydroimidazol-5-one
CID 123304500
1-But-3-en-2-yl-3-[7-(cyclopropylamino)-3-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]urea
CID 123403324
4-[4-(Cyclopropylamino)-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-yl]-3-iminobutan-2-one
CID 123507324

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(cyclopropylamino)-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one?
The IUPAC name of 4-[[4-(cyclopropylamino)-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one (CID 123654827) is 4-[[4-(cyclopropylamino)-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one.
What is the SMILES notation for 4-[[4-(cyclopropylamino)-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one?
The canonical SMILES for 4-[[4-(cyclopropylamino)-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one is Cc1nc(NC2CC2)n2ncc(CC3=NC(O)NC3=O)c2n1.
What is the InChIKey of 4-[[4-(cyclopropylamino)-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one?
The InChIKey is BJDDTMOFFOKOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O2/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/h5,8,13,22H,2-4H2,1H3,(H,19,21)(H,15,16,17).
What are the key properties of 4-[[4-(cyclopropylamino)-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one?
4-[[4-(cyclopropylamino)-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one has a molecular weight of 301.31 g/mol, XLogP of -0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(cyclopropylamino)-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one is sourced from PubChem (CID 123654827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).