N-(2-methoxyethoxy)-1-(2-methyl-1,2,4-triazol-3-yl)methanamine

C7H14N4O2 — CID 82723136

IUPACN-(2-methoxyethoxy)-1-(2-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCOCCONCc1ncnn1C
InChIInChI=1S/C7H14N4O2/c1-11-7(8-6-9-11)5-10-13-4-3-12-2/h6,10H,3-5H2,1-2H3
InChIKeyZBFOYQNPOFSWHM-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.52
Rot. Bonds6

About N-(2-methoxyethoxy)-1-(2-methyl-1,2,4-triazol-3-yl)methanamine

N-(2-methoxyethoxy)-1-(2-methyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 82723136) has the molecular formula C7H14N4O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-1-(2-methyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-1-(2-methyl-1,2,4-triazol-3-yl)methanamine
PubChem CID82723136
Molecular FormulaC7H14N4O2
Molecular Weight186.21 g/mol
Exact Mass186.11
IUPAC NameN-(2-methoxyethoxy)-1-(2-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCOCCONCc1ncnn1C
InChIInChI=1S/C7H14N4O2/c1-11-7(8-6-9-11)5-10-13-4-3-12-2/h6,10H,3-5H2,1-2H3
InChIKeyZBFOYQNPOFSWHM-UHFFFAOYSA-N
XLogP-0.52
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-1-(2-methyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of N-(2-methoxyethoxy)-1-(2-methyl-1,2,4-triazol-3-yl)methanamine (CID 82723136) is N-(2-methoxyethoxy)-1-(2-methyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for N-(2-methoxyethoxy)-1-(2-methyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for N-(2-methoxyethoxy)-1-(2-methyl-1,2,4-triazol-3-yl)methanamine is COCCONCc1ncnn1C.
What is the InChIKey of N-(2-methoxyethoxy)-1-(2-methyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is ZBFOYQNPOFSWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c1-11-7(8-6-9-11)5-10-13-4-3-12-2/h6,10H,3-5H2,1-2H3.
What are the key properties of N-(2-methoxyethoxy)-1-(2-methyl-1,2,4-triazol-3-yl)methanamine?
N-(2-methoxyethoxy)-1-(2-methyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 186.21 g/mol, XLogP of -0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-1-(2-methyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 82723136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).