1-[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]-N-methylmethanamine

C11H14ClN5O — CID 64599895

IUPAC1-[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CCOc2cncc(Cl)c2)nn1
InChIInChI=1S/C11H14ClN5O/c1-13-6-10-8-17(16-15-10)2-3-18-11-4-9(12)5-14-7-11/h4-5,7-8,13H,2-3,6H2,1H3
InChIKeyCSNGWQXWLQBOGU-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.12
Rot. Bonds6

About 1-[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]-N-methylmethanamine

1-[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]-N-methylmethanamine (PubChem CID 64599895) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 1-[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]-N-methylmethanamine
PubChem CID64599895
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name1-[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CCOc2cncc(Cl)c2)nn1
InChIInChI=1S/C11H14ClN5O/c1-13-6-10-8-17(16-15-10)2-3-18-11-4-9(12)5-14-7-11/h4-5,7-8,13H,2-3,6H2,1H3
InChIKeyCSNGWQXWLQBOGU-UHFFFAOYSA-N
XLogP1.12
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 64602362
1-[1-[2-(3,5-dimethoxyphenoxy)ethyl]triazol-4-yl]-N-methylmethanamine
CID 62451375
N-methyl-1-[1-(2-quinolin-3-yloxyethyl)triazol-4-yl]methanamine
CID 107387810
N-methyl-1-[1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine
CID 62450708
1-[1-[3-(4-fluorophenoxy)propyl]triazol-4-yl]-N-methylmethanamine
CID 66216655
2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol
CID 66215241
N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methanamine
CID 66192704
N-[[1-[2-(3-chlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62460816
N-[[1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62453031
1-[1-[2-[(2-chlorophenyl)methoxy]ethyl]triazol-4-yl]-N-methylmethanamine
CID 62445319
4-(2-chloroethyl)-1-[2-(3-chlorophenoxy)ethyl]triazole
CID 62401195
N-[[1-(2-pyridin-3-yloxyethyl)triazol-4-yl]methyl]cyclopropanamine
CID 62451750

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]-N-methylmethanamine (CID 64599895) is 1-[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]-N-methylmethanamine is CNCc1cn(CCOc2cncc(Cl)c2)nn1.
What is the InChIKey of 1-[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]-N-methylmethanamine?
The InChIKey is CSNGWQXWLQBOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-13-6-10-8-17(16-15-10)2-3-18-11-4-9(12)5-14-7-11/h4-5,7-8,13H,2-3,6H2,1H3.
What are the key properties of 1-[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]-N-methylmethanamine?
1-[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]-N-methylmethanamine has a molecular weight of 267.72 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 64599895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).