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

C16H21N9O2 — CID 123658704

IUPAC4-[[4-(cyclopropylamino)-2-(pyrrolidin-1-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one
SMILESO=C1NC(O)N=C1Cc1cnn2c(NC3CC3)nc(NN3CCCC3)nc12
InChIInChI=1S/C16H21N9O2/c26-13-11(19-16(27)21-13)7-9-8-17-25-12(9)20-14(23-24-5-1-2-6-24)22-15(25)18-10-3-4-10/h8,10,16,27H,1-7H2,(H,21,26)(H2,18,20,22,23)
InChIKeyLWDDVNNVVCLPCK-UHFFFAOYSA-N
MW371.41 g/mol
LogP-0.49
Rot. Bonds6

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

4-[[4-(cyclopropylamino)-2-(pyrrolidin-1-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one (PubChem CID 123658704) has the molecular formula C16H21N9O2 and a molecular weight of 371.41 g/mol. Its IUPAC name is 4-[[4-(cyclopropylamino)-2-(pyrrolidin-1-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-[[4-(cyclopropylamino)-2-(pyrrolidin-1-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one
PubChem CID123658704
Molecular FormulaC16H21N9O2
Molecular Weight371.41 g/mol
Exact Mass371.18
IUPAC Name4-[[4-(cyclopropylamino)-2-(pyrrolidin-1-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one
SMILESO=C1NC(O)N=C1Cc1cnn2c(NC3CC3)nc(NN3CCCC3)nc12
InChIInChI=1S/C16H21N9O2/c26-13-11(19-16(27)21-13)7-9-8-17-25-12(9)20-14(23-24-5-1-2-6-24)22-15(25)18-10-3-4-10/h8,10,16,27H,1-7H2,(H,21,26)(H2,18,20,22,23)
InChIKeyLWDDVNNVVCLPCK-UHFFFAOYSA-N
XLogP-0.49
TPSA132.07 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 4-[[4-(cyclopropylamino)-2-(pyrrolidin-1-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(cyclopropylamino)-2-(pyrrolidin-1-ylamino)pyrazolo[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-(pyrrolidin-1-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one (CID 123658704) is 4-[[4-(cyclopropylamino)-2-(pyrrolidin-1-ylamino)pyrazolo[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-(pyrrolidin-1-ylamino)pyrazolo[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-(pyrrolidin-1-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one is O=C1NC(O)N=C1Cc1cnn2c(NC3CC3)nc(NN3CCCC3)nc12.
What is the InChIKey of 4-[[4-(cyclopropylamino)-2-(pyrrolidin-1-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one?
The InChIKey is LWDDVNNVVCLPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N9O2/c26-13-11(19-16(27)21-13)7-9-8-17-25-12(9)20-14(23-24-5-1-2-6-24)22-15(25)18-10-3-4-10/h8,10,16,27H,1-7H2,(H,21,26)(H2,18,20,22,23).
What are the key properties of 4-[[4-(cyclopropylamino)-2-(pyrrolidin-1-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one?
4-[[4-(cyclopropylamino)-2-(pyrrolidin-1-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one has a molecular weight of 371.41 g/mol, XLogP of -0.49, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(cyclopropylamino)-2-(pyrrolidin-1-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one is sourced from PubChem (CID 123658704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).