N-[[1-[(5-fluoroquinolin-8-yl)methyl]triazol-4-yl]methyl]ethanamine

C15H16FN5 — CID 66194468

IUPACN-[[1-[(5-fluoroquinolin-8-yl)methyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2ccc(F)c3cccnc23)nn1
InChIInChI=1S/C15H16FN5/c1-2-17-8-12-10-21(20-19-12)9-11-5-6-14(16)13-4-3-7-18-15(11)13/h3-7,10,17H,2,8-9H2,1H3
InChIKeyFWVNWGVHDDCYQI-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.12
Rot. Bonds5

About N-[[1-[(5-fluoroquinolin-8-yl)methyl]triazol-4-yl]methyl]ethanamine

N-[[1-[(5-fluoroquinolin-8-yl)methyl]triazol-4-yl]methyl]ethanamine (PubChem CID 66194468) has the molecular formula C15H16FN5 and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[[1-[(5-fluoroquinolin-8-yl)methyl]triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(5-fluoroquinolin-8-yl)methyl]triazol-4-yl]methyl]ethanamine
PubChem CID66194468
Molecular FormulaC15H16FN5
Molecular Weight285.33 g/mol
Exact Mass285.14
IUPAC NameN-[[1-[(5-fluoroquinolin-8-yl)methyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2ccc(F)c3cccnc23)nn1
InChIInChI=1S/C15H16FN5/c1-2-17-8-12-10-21(20-19-12)9-11-5-6-14(16)13-4-3-7-18-15(11)13/h3-7,10,17H,2,8-9H2,1H3
InChIKeyFWVNWGVHDDCYQI-UHFFFAOYSA-N
XLogP2.12
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(5-fluoroquinolin-8-yl)methyl]triazol-4-yl]methyl]ethanamine with MolForge

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Related Compounds

2-[1-[(5-fluoroquinolin-8-yl)methyl]triazol-4-yl]acetic acid
CID 107461284
N-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66191763
N-[[1-[(5-fluoro-2-methylphenyl)methyl]triazol-4-yl]methyl]ethanamine
CID 105374772
N-[[1-(5-chloroquinolin-8-yl)triazol-4-yl]methyl]ethanamine
CID 116785439
2-[4-[(quinolin-8-ylmethylamino)methyl]triazol-1-yl]ethanol
CID 81427814
(2S)-N-[(5-fluoroquinolin-8-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95608969
2-[4-(ethylaminomethyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylethanamine
CID 62436258
5-fluoro-8-[(3-nitro-1,2,4-triazol-1-yl)methyl]quinoline
CID 47058562
N-[[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]propan-1-amine
CID 66192180
N-[[1-[(6-methoxypyridazin-3-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 114268825
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 66194658
1-[(5-fluoroquinolin-8-yl)methyl]-N-methylpyrrolidin-3-amine
CID 81493159

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-fluoroquinolin-8-yl)methyl]triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(5-fluoroquinolin-8-yl)methyl]triazol-4-yl]methyl]ethanamine (CID 66194468) is N-[[1-[(5-fluoroquinolin-8-yl)methyl]triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(5-fluoroquinolin-8-yl)methyl]triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(5-fluoroquinolin-8-yl)methyl]triazol-4-yl]methyl]ethanamine is CCNCc1cn(Cc2ccc(F)c3cccnc23)nn1.
What is the InChIKey of N-[[1-[(5-fluoroquinolin-8-yl)methyl]triazol-4-yl]methyl]ethanamine?
The InChIKey is FWVNWGVHDDCYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5/c1-2-17-8-12-10-21(20-19-12)9-11-5-6-14(16)13-4-3-7-18-15(11)13/h3-7,10,17H,2,8-9H2,1H3.
What are the key properties of N-[[1-[(5-fluoroquinolin-8-yl)methyl]triazol-4-yl]methyl]ethanamine?
N-[[1-[(5-fluoroquinolin-8-yl)methyl]triazol-4-yl]methyl]ethanamine has a molecular weight of 285.33 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-fluoroquinolin-8-yl)methyl]triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66194468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).