3-benzyl-2-[1-(benzylamino)propyl]pyrrolo[2,1-f][1,2,4]triazin-4-one

C23H24N4O — CID 22180079

IUPAC3-benzyl-2-[1-(benzylamino)propyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCCC(NCc1ccccc1)c1nn2cccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C23H24N4O/c1-2-20(24-16-18-10-5-3-6-11-18)22-25-27-15-9-14-21(27)23(28)26(22)17-19-12-7-4-8-13-19/h3-15,20,24H,2,16-17H2,1H3
InChIKeyZILQXGHTRKCQOI-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.79
Rot. Bonds7

About 3-benzyl-2-[1-(benzylamino)propyl]pyrrolo[2,1-f][1,2,4]triazin-4-one

3-benzyl-2-[1-(benzylamino)propyl]pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 22180079) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-benzyl-2-[1-(benzylamino)propyl]pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-benzyl-2-[1-(benzylamino)propyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID22180079
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name3-benzyl-2-[1-(benzylamino)propyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCCC(NCc1ccccc1)c1nn2cccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C23H24N4O/c1-2-20(24-16-18-10-5-3-6-11-18)22-25-27-15-9-14-21(27)23(28)26(22)17-19-12-7-4-8-13-19/h3-15,20,24H,2,16-17H2,1H3
InChIKeyZILQXGHTRKCQOI-UHFFFAOYSA-N
XLogP3.79
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-benzyl-2-[1-(benzylamino)propyl]pyrrolo[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

3-benzyl-2-[1-(cyclopentylamino)propyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 22180088
3-benzyl-2-[(1S)-1-(benzylamino)propyl]quinazolin-4-one
CID 1051972
2-[(1R)-1-(benzylamino)propyl]-3-methylquinazolin-4-one
CID 769523
3-benzyl-7-chloro-2-[1-(2-methylpropylamino)propyl]quinazolin-4-one
CID 20785808
3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one
CID 769316
1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
2-[1-(benzylamino)propyl]aniline
CID 12628946
3-benzyl-6-bromo-2-[1-[2-(dimethylamino)ethylamino]propyl]thieno[2,3-d]pyrimidin-4-one
CID 59716442
3-benzyl-2-[(1S)-1-(2-methylpropylamino)ethyl]quinazolin-4-one
CID 769323
2-(benzylamino)-2-(3-ethylimidazol-4-yl)ethanol
CID 66133933
2-[(1S)-1-(ethylamino)propyl]-3-methylquinazolin-4-one
CID 769516
1-benzyl-3-ethylquinoxalin-2-one
CID 91739681

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-[1-(benzylamino)propyl]pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 3-benzyl-2-[1-(benzylamino)propyl]pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 22180079) is 3-benzyl-2-[1-(benzylamino)propyl]pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 3-benzyl-2-[1-(benzylamino)propyl]pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 3-benzyl-2-[1-(benzylamino)propyl]pyrrolo[2,1-f][1,2,4]triazin-4-one is CCC(NCc1ccccc1)c1nn2cccc2c(=O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-[1-(benzylamino)propyl]pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is ZILQXGHTRKCQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-2-20(24-16-18-10-5-3-6-11-18)22-25-27-15-9-14-21(27)23(28)26(22)17-19-12-7-4-8-13-19/h3-15,20,24H,2,16-17H2,1H3.
What are the key properties of 3-benzyl-2-[1-(benzylamino)propyl]pyrrolo[2,1-f][1,2,4]triazin-4-one?
3-benzyl-2-[1-(benzylamino)propyl]pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 372.47 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-[1-(benzylamino)propyl]pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 22180079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).