N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine

C11H14ClN5O — CID 106597984

IUPACN-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(Oc2ncn(C)n2)c(Cl)c1
InChIInChI=1S/C11H14ClN5O/c1-3-13-5-8-4-9(12)10(14-6-8)18-11-15-7-17(2)16-11/h4,6-7,13H,3,5H2,1-2H3
InChIKeyNTHUDQVVHXYAOY-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.77
Rot. Bonds5

About N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine

N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine (PubChem CID 106597984) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine
PubChem CID106597984
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC NameN-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(Oc2ncn(C)n2)c(Cl)c1
InChIInChI=1S/C11H14ClN5O/c1-3-13-5-8-4-9(12)10(14-6-8)18-11-15-7-17(2)16-11/h4,6-7,13H,3,5H2,1-2H3
InChIKeyNTHUDQVVHXYAOY-UHFFFAOYSA-N
XLogP1.77
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106597985
N-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 55058407
N-[[6-(4-bromo-2-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321679
N-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321494
N-[[6-(5-bromo-2,3-difluorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 107101217
N-[[5-chloro-6-(2-methoxyethoxy)-3-pyridinyl]methyl]ethanamine
CID 62290358
3-[[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 62298233
N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-3-pyridinyl]methyl]ethanamine
CID 106598447
N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 55058464
N-[[5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine
CID 81342700
N-[(5-chloro-6-cyclobutyloxy-3-pyridinyl)methyl]ethanamine
CID 62286994
N-[(5-chloro-6-pent-4-enoxy-3-pyridinyl)methyl]ethanamine
CID 79114404

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine (CID 106597984) is N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(Oc2ncn(C)n2)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine?
The InChIKey is NTHUDQVVHXYAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-3-13-5-8-4-9(12)10(14-6-8)18-11-15-7-17(2)16-11/h4,6-7,13H,3,5H2,1-2H3.
What are the key properties of N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine?
N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine has a molecular weight of 267.72 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 106597984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).