N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]methyl]propan-1-amine

C15H20FN5 — CID 106532857

IUPACN-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(F)cc(N2CCn3cnnc3C2)c1
InChIInChI=1S/C15H20FN5/c1-2-3-17-9-12-6-13(16)8-14(7-12)20-4-5-21-11-18-19-15(21)10-20/h6-8,11,17H,2-5,9-10H2,1H3
InChIKeyPHUQNASDAOYFQW-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.94
Rot. Bonds5

About N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]methyl]propan-1-amine

N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]methyl]propan-1-amine (PubChem CID 106532857) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]methyl]propan-1-amine
PubChem CID106532857
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC NameN-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(F)cc(N2CCn3cnnc3C2)c1
InChIInChI=1S/C15H20FN5/c1-2-3-17-9-12-6-13(16)8-14(7-12)20-4-5-21-11-18-19-15(21)10-20/h6-8,11,17H,2-5,9-10H2,1H3
InChIKeyPHUQNASDAOYFQW-UHFFFAOYSA-N
XLogP1.94
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.94
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

N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 64580439
N-[[3-fluoro-5-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-1-amine
CID 106532578
N-[[3-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine
CID 106532067
1-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluorophenyl]-N-methylmethanamine
CID 106530973
N-[[3-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-1-amine
CID 106532892
N-[[3-(2-ethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine
CID 106532257
[3-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]methanamine
CID 102814072
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propylpentan-1-amine
CID 64579271
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 64579635
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethyl-N-propylbutan-1-amine
CID 64580209
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluoro-4-propoxyaniline
CID 64575965
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-fluorobenzoic acid
CID 115485499

Frequently Asked Questions

What is the IUPAC name of N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]methyl]propan-1-amine (CID 106532857) is N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]methyl]propan-1-amine is CCCNCc1cc(F)cc(N2CCn3cnnc3C2)c1.
What is the InChIKey of N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]methyl]propan-1-amine?
The InChIKey is PHUQNASDAOYFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5/c1-2-3-17-9-12-6-13(16)8-14(7-12)20-4-5-21-11-18-19-15(21)10-20/h6-8,11,17H,2-5,9-10H2,1H3.
What are the key properties of N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]methyl]propan-1-amine?
N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]methyl]propan-1-amine has a molecular weight of 289.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]methyl]propan-1-amine is sourced from PubChem (CID 106532857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).