5-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)-1,2,4-triazin-3-amine

C20H18FN5 — CID 42454381

IUPAC5-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)-1,2,4-triazin-3-amine
SMILESFc1cccc(-c2cnnc(NCCCn3ccc4ccccc43)n2)c1
InChIInChI=1S/C20H18FN5/c21-17-7-3-6-16(13-17)18-14-23-25-20(24-18)22-10-4-11-26-12-9-15-5-1-2-8-19(15)26/h1-3,5-9,12-14H,4,10-11H2,(H,22,24,25)
InChIKeyGLWKZIMKHLXPBH-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.13
Rot. Bonds6

About 5-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)-1,2,4-triazin-3-amine

5-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)-1,2,4-triazin-3-amine (PubChem CID 42454381) has the molecular formula C20H18FN5 and a molecular weight of 347.40 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)-1,2,4-triazin-3-amine
PubChem CID42454381
Molecular FormulaC20H18FN5
Molecular Weight347.40 g/mol
Exact Mass347.15
IUPAC Name5-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)-1,2,4-triazin-3-amine
SMILESFc1cccc(-c2cnnc(NCCCn3ccc4ccccc43)n2)c1
InChIInChI=1S/C20H18FN5/c21-17-7-3-6-16(13-17)18-14-23-25-20(24-18)22-10-4-11-26-12-9-15-5-1-2-8-19(15)26/h1-3,5-9,12-14H,4,10-11H2,(H,22,24,25)
InChIKeyGLWKZIMKHLXPBH-UHFFFAOYSA-N
XLogP4.13
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine
CID 29029101
5-(3-fluorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-triazin-3-amine
CID 25368700
2-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)acetamide
CID 51165336
3-fluoro-N-(3-indol-1-ylpropyl)pyridin-4-amine;hydrochloride
CID 68862206
N-(3-indazol-1-ylpropyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine
CID 25459604
3-[5-(3-fluorophenyl)indol-1-yl]propan-1-amine
CID 83968612
5-(3-fluorophenyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine
CID 31015572
2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide
CID 166330830
1-(3-fluoropropyl)indole
CID 81113690
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
3-indol-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 43664066
2-fluoro-N-(2-indol-1-ylethyl)aniline
CID 62562125

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)-1,2,4-triazin-3-amine (CID 42454381) is 5-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)-1,2,4-triazin-3-amine is Fc1cccc(-c2cnnc(NCCCn3ccc4ccccc43)n2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)-1,2,4-triazin-3-amine?
The InChIKey is GLWKZIMKHLXPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5/c21-17-7-3-6-16(13-17)18-14-23-25-20(24-18)22-10-4-11-26-12-9-15-5-1-2-8-19(15)26/h1-3,5-9,12-14H,4,10-11H2,(H,22,24,25).
What are the key properties of 5-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)-1,2,4-triazin-3-amine?
5-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)-1,2,4-triazin-3-amine has a molecular weight of 347.40 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 42454381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).