N-methyl-1-[1-(2-quinolin-3-yloxyethyl)triazol-4-yl]methanamine

C15H17N5O — CID 107387810

IUPACN-methyl-1-[1-(2-quinolin-3-yloxyethyl)triazol-4-yl]methanamine
SMILESCNCc1cn(CCOc2cnc3ccccc3c2)nn1
InChIInChI=1S/C15H17N5O/c1-16-9-13-11-20(19-18-13)6-7-21-14-8-12-4-2-3-5-15(12)17-10-14/h2-5,8,10-11,16H,6-7,9H2,1H3
InChIKeyJXUOMRKBJQTAOC-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.62
Rot. Bonds6

About N-methyl-1-[1-(2-quinolin-3-yloxyethyl)triazol-4-yl]methanamine

N-methyl-1-[1-(2-quinolin-3-yloxyethyl)triazol-4-yl]methanamine (PubChem CID 107387810) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is N-methyl-1-[1-(2-quinolin-3-yloxyethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-quinolin-3-yloxyethyl)triazol-4-yl]methanamine
PubChem CID107387810
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC NameN-methyl-1-[1-(2-quinolin-3-yloxyethyl)triazol-4-yl]methanamine
SMILESCNCc1cn(CCOc2cnc3ccccc3c2)nn1
InChIInChI=1S/C15H17N5O/c1-16-9-13-11-20(19-18-13)6-7-21-14-8-12-4-2-3-5-15(12)17-10-14/h2-5,8,10-11,16H,6-7,9H2,1H3
InChIKeyJXUOMRKBJQTAOC-UHFFFAOYSA-N
XLogP1.62
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-quinolin-3-yloxyethyl)triazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-quinolin-3-yloxyethyl)triazol-4-yl]methanamine (CID 107387810) is N-methyl-1-[1-(2-quinolin-3-yloxyethyl)triazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-quinolin-3-yloxyethyl)triazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-quinolin-3-yloxyethyl)triazol-4-yl]methanamine is CNCc1cn(CCOc2cnc3ccccc3c2)nn1.
What is the InChIKey of N-methyl-1-[1-(2-quinolin-3-yloxyethyl)triazol-4-yl]methanamine?
The InChIKey is JXUOMRKBJQTAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-16-9-13-11-20(19-18-13)6-7-21-14-8-12-4-2-3-5-15(12)17-10-14/h2-5,8,10-11,16H,6-7,9H2,1H3.
What are the key properties of N-methyl-1-[1-(2-quinolin-3-yloxyethyl)triazol-4-yl]methanamine?
N-methyl-1-[1-(2-quinolin-3-yloxyethyl)triazol-4-yl]methanamine has a molecular weight of 283.34 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-quinolin-3-yloxyethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 107387810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).