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

C14H14ClN5 — CID 116785439

IUPACN-[[1-(5-chloroquinolin-8-yl)triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(-c2ccc(Cl)c3cccnc23)nn1
InChIInChI=1S/C14H14ClN5/c1-2-16-8-10-9-20(19-18-10)13-6-5-12(15)11-4-3-7-17-14(11)13/h3-7,9,16H,2,8H2,1H3
InChIKeyIMCWYVZGYSIZGY-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.58
Rot. Bonds4

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

N-[[1-(5-chloroquinolin-8-yl)triazol-4-yl]methyl]ethanamine (PubChem CID 116785439) has the molecular formula C14H14ClN5 and a molecular weight of 287.75 g/mol. Its IUPAC name is N-[[1-(5-chloroquinolin-8-yl)triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(5-chloroquinolin-8-yl)triazol-4-yl]methyl]ethanamine
PubChem CID116785439
Molecular FormulaC14H14ClN5
Molecular Weight287.75 g/mol
Exact Mass287.09
IUPAC NameN-[[1-(5-chloroquinolin-8-yl)triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(-c2ccc(Cl)c3cccnc23)nn1
InChIInChI=1S/C14H14ClN5/c1-2-16-8-10-9-20(19-18-10)13-6-5-12(15)11-4-3-7-17-14(11)13/h3-7,9,16H,2,8H2,1H3
InChIKeyIMCWYVZGYSIZGY-UHFFFAOYSA-N
XLogP2.58
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(5-chloroquinolin-8-yl)triazol-4-yl]ethanol
CID 116785483
N-[[1-(2-chloro-5-iodophenyl)triazol-4-yl]methyl]ethanamine
CID 114261207
N-[[1-(4-chloro-2-fluorophenyl)triazol-4-yl]methyl]ethanamine
CID 66207281
N-[[1-[(5-fluoroquinolin-8-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66194468
N-[[1-(2-bromo-4-methylphenyl)triazol-4-yl]methyl]ethanamine
CID 66205063
2-methyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]propan-1-amine
CID 66207060
2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide
CID 112699417
N-[[1-(2-chloro-4-iodophenyl)triazol-4-yl]methyl]-1-cyclopropylmethanamine
CID 107607854
N-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66191763
1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115697268
CID 172791001
CID 172791001
5-chloro-8-(3-chloro-1,2,4-triazol-4-yl)quinoline
CID 116785568

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-chloroquinolin-8-yl)triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(5-chloroquinolin-8-yl)triazol-4-yl]methyl]ethanamine (CID 116785439) is N-[[1-(5-chloroquinolin-8-yl)triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(5-chloroquinolin-8-yl)triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(5-chloroquinolin-8-yl)triazol-4-yl]methyl]ethanamine is CCNCc1cn(-c2ccc(Cl)c3cccnc23)nn1.
What is the InChIKey of N-[[1-(5-chloroquinolin-8-yl)triazol-4-yl]methyl]ethanamine?
The InChIKey is IMCWYVZGYSIZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5/c1-2-16-8-10-9-20(19-18-10)13-6-5-12(15)11-4-3-7-17-14(11)13/h3-7,9,16H,2,8H2,1H3.
What are the key properties of N-[[1-(5-chloroquinolin-8-yl)triazol-4-yl]methyl]ethanamine?
N-[[1-(5-chloroquinolin-8-yl)triazol-4-yl]methyl]ethanamine has a molecular weight of 287.75 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-chloroquinolin-8-yl)triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 116785439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).