3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]imidazo[2,1-f][1,2,4]triazin-4-one

C19H17N9O — CID 71466532

IUPAC3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]imidazo[2,1-f][1,2,4]triazin-4-one
SMILESCC[C@H](Nc1ncnc2nc[nH]c12)c1nn2ccnc2c(=O)n1-c1ccccc1
InChIInChI=1S/C19H17N9O/c1-2-13(25-16-14-15(22-10-21-14)23-11-24-16)17-26-27-9-8-20-18(27)19(29)28(17)12-6-4-3-5-7-12/h3-11,13H,2H2,1H3,(H2,21,22,23,24,25)/t13-/m0/s1
InChIKeyNPHNVJQHMREAQG-ZDUSSCGKSA-N
MW387.41 g/mol
LogP2.11
Rot. Bonds5

About 3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]imidazo[2,1-f][1,2,4]triazin-4-one

3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]imidazo[2,1-f][1,2,4]triazin-4-one (PubChem CID 71466532) has the molecular formula C19H17N9O and a molecular weight of 387.41 g/mol. Its IUPAC name is 3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]imidazo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]imidazo[2,1-f][1,2,4]triazin-4-one
PubChem CID71466532
Molecular FormulaC19H17N9O
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]imidazo[2,1-f][1,2,4]triazin-4-one
SMILESCC[C@H](Nc1ncnc2nc[nH]c12)c1nn2ccnc2c(=O)n1-c1ccccc1
InChIInChI=1S/C19H17N9O/c1-2-13(25-16-14-15(22-10-21-14)23-11-24-16)17-26-27-9-8-20-18(27)19(29)28(17)12-6-4-3-5-7-12/h3-11,13H,2H2,1H3,(H2,21,22,23,24,25)/t13-/m0/s1
InChIKeyNPHNVJQHMREAQG-ZDUSSCGKSA-N
XLogP2.11
TPSA118.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]imidazo[2,1-f][1,2,4]triazin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

5-chloro-6-fluoro-3-phenyl-2-[1-(7H-purin-6-ylamino)propyl]quinazolin-4-one
CID 118044172
5-chloro-6-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one
CID 118044338
8-methyl-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)propyl]isoquinolin-1-one
CID 67950705
N-hydroxy-1-[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]iodanuidylformamide
CID 142506075
3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]imidazo[1,2-a][1,3,5]triazin-4-one
CID 70922429
5-chloro-6-fluoro-3-(4-fluorophenyl)-2-[(1R)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one
CID 118044121
5-chloro-6-fluoro-3-(4-fluorophenyl)-2-[1-(7H-purin-6-ylamino)propyl]quinazolin-4-one
CID 118044159
5-chloro-6-fluoro-3-(3-fluorophenyl)-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one
CID 118044336
5-chloro-3-(3,5-difluorophenyl)-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one
CID 11677104
2-(4-fluorophenyl)-8-methyl-3-[1-(7H-purin-6-ylamino)propyl]isoquinolin-1-one
CID 58008757
5-fluoro-2-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]-3-phenylquinazolin-4-one;5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one;dihydrochloride
CID 160967780
N-hydroxy-2-[[[4-oxo-3-phenyl-2-[1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]methylamino]methyl]-1,3-thiazole-4-carboxamide
CID 137368145

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]imidazo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]imidazo[2,1-f][1,2,4]triazin-4-one (CID 71466532) is 3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]imidazo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]imidazo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]imidazo[2,1-f][1,2,4]triazin-4-one is CC[C@H](Nc1ncnc2nc[nH]c12)c1nn2ccnc2c(=O)n1-c1ccccc1.
What is the InChIKey of 3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]imidazo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is NPHNVJQHMREAQG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17N9O/c1-2-13(25-16-14-15(22-10-21-14)23-11-24-16)17-26-27-9-8-20-18(27)19(29)28(17)12-6-4-3-5-7-12/h3-11,13H,2H2,1H3,(H2,21,22,23,24,25)/t13-/m0/s1.
What are the key properties of 3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]imidazo[2,1-f][1,2,4]triazin-4-one?
3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]imidazo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 387.41 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]imidazo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 71466532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).