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

C14H20ClN5O — CID 64602362

IUPACN-[[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cn(CCOc2cncc(Cl)c2)nn1
InChIInChI=1S/C14H20ClN5O/c1-11(2)6-16-8-13-10-20(19-18-13)3-4-21-14-5-12(15)7-17-9-14/h5,7,9-11,16H,3-4,6,8H2,1-2H3
InChIKeyUGDXANXGOASAFO-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.15
Rot. Bonds8

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

N-[[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 64602362) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID64602362
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC NameN-[[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cn(CCOc2cncc(Cl)c2)nn1
InChIInChI=1S/C14H20ClN5O/c1-11(2)6-16-8-13-10-20(19-18-13)3-4-21-14-5-12(15)7-17-9-14/h5,7,9-11,16H,3-4,6,8H2,1-2H3
InChIKeyUGDXANXGOASAFO-UHFFFAOYSA-N
XLogP2.15
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]-N-methylmethanamine
CID 64599895
N-[[1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62453031
N-[[1-[2-(3-bromophenoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62458300
2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62457361
2-methyl-N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 106449803
N-[[1-[2-(2-fluorophenoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62454402
N-[[1-[2-(3-methoxypropoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 55073341
N-[[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64601790
N-[[6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64601212
N-methyl-N-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethyl]butan-2-amine
CID 62418960
N-[[1-[2-(4,5-dimethylimidazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62441592
2-methyl-N-[[1-[2-[methyl(2-propan-2-yloxyethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 81064369

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine (CID 64602362) is N-[[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cn(CCOc2cncc(Cl)c2)nn1.
What is the InChIKey of N-[[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is UGDXANXGOASAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5O/c1-11(2)6-16-8-13-10-20(19-18-13)3-4-21-14-5-12(15)7-17-9-14/h5,7,9-11,16H,3-4,6,8H2,1-2H3.
What are the key properties of N-[[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 309.80 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 64602362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).