2-methoxy-N-[[1-[(1-propyltetrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine

C11H20N8O — CID 66204818

IUPAC2-methoxy-N-[[1-[(1-propyltetrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine
SMILESCCCn1nnnc1Cn1cc(CNCCOC)nn1
InChIInChI=1S/C11H20N8O/c1-3-5-19-11(14-15-17-19)9-18-8-10(13-16-18)7-12-4-6-20-2/h8,12H,3-7,9H2,1-2H3
InChIKeyIOMOEVFSDMCRJZ-UHFFFAOYSA-N
MW280.34 g/mol
LogP-0.54
Rot. Bonds9

About 2-methoxy-N-[[1-[(1-propyltetrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine

2-methoxy-N-[[1-[(1-propyltetrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine (PubChem CID 66204818) has the molecular formula C11H20N8O and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[(1-propyltetrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[(1-propyltetrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine
PubChem CID66204818
Molecular FormulaC11H20N8O
Molecular Weight280.34 g/mol
Exact Mass280.18
IUPAC Name2-methoxy-N-[[1-[(1-propyltetrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine
SMILESCCCn1nnnc1Cn1cc(CNCCOC)nn1
InChIInChI=1S/C11H20N8O/c1-3-5-19-11(14-15-17-19)9-18-8-10(13-16-18)7-12-4-6-20-2/h8,12H,3-7,9H2,1-2H3
InChIKeyIOMOEVFSDMCRJZ-UHFFFAOYSA-N
XLogP-0.54
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-heptyltriazol-4-yl)methyl]-2-methoxyethanamine
CID 66192486
N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]methyl]-2-methoxyethanamine
CID 66206441
2-methoxy-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]ethanamine
CID 66204200
N-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methyl]-2-methoxyethanamine
CID 66192493
2-methoxy-N-[[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]methyl]ethanamine
CID 66205422
N-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide
CID 66205021
N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]-2-methoxyethanamine
CID 66205624
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]methyl]-2-methoxyethanamine
CID 102879879
1-butyl-5-[[4-(3-chloropropyl)triazol-1-yl]methyl]tetrazole
CID 113374610
N-ethyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-methylacetamide
CID 66205413
5-hydroxy-2-[[4-[(2-methoxyethylamino)methyl]triazol-1-yl]methyl]pyran-4-one
CID 66192488
1-methoxy-3-[4-(propylaminomethyl)triazol-1-yl]propan-2-ol
CID 66191790

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[(1-propyltetrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[(1-propyltetrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine (CID 66204818) is 2-methoxy-N-[[1-[(1-propyltetrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[(1-propyltetrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[(1-propyltetrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine is CCCn1nnnc1Cn1cc(CNCCOC)nn1.
What is the InChIKey of 2-methoxy-N-[[1-[(1-propyltetrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine?
The InChIKey is IOMOEVFSDMCRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N8O/c1-3-5-19-11(14-15-17-19)9-18-8-10(13-16-18)7-12-4-6-20-2/h8,12H,3-7,9H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-[(1-propyltetrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[1-[(1-propyltetrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine has a molecular weight of 280.34 g/mol, XLogP of -0.54, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[(1-propyltetrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66204818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).