N-[[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine

C11H19N7O — CID 107464810

IUPACN-[[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine
SMILESCCc1nn(C)cc1-n1nnnc1CNCCOC
InChIInChI=1S/C11H19N7O/c1-4-9-10(8-17(2)14-9)18-11(13-15-16-18)7-12-5-6-19-3/h8,12H,4-7H2,1-3H3
InChIKeyZUYCVQCDSGUEOT-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.31
Rot. Bonds7

About N-[[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine

N-[[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine (PubChem CID 107464810) has the molecular formula C11H19N7O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine
PubChem CID107464810
Molecular FormulaC11H19N7O
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC NameN-[[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine
SMILESCCc1nn(C)cc1-n1nnnc1CNCCOC
InChIInChI=1S/C11H19N7O/c1-4-9-10(8-17(2)14-9)18-11(13-15-16-18)7-12-5-6-19-3/h8,12H,4-7H2,1-3H3
InChIKeyZUYCVQCDSGUEOT-UHFFFAOYSA-N
XLogP-0.31
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine (CID 107464810) is N-[[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine is CCc1nn(C)cc1-n1nnnc1CNCCOC.
What is the InChIKey of N-[[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is ZUYCVQCDSGUEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7O/c1-4-9-10(8-17(2)14-9)18-11(13-15-16-18)7-12-5-6-19-3/h8,12H,4-7H2,1-3H3.
What are the key properties of N-[[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
N-[[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 265.32 g/mol, XLogP of -0.31, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 107464810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).