1-[1-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]-N-methylmethanamine

C10H20N4O2 — CID 103413590

IUPAC1-[1-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]-N-methylmethanamine
SMILESCNCc1ncn(CCCOCCOC)n1
InChIInChI=1S/C10H20N4O2/c1-11-8-10-12-9-14(13-10)4-3-5-16-7-6-15-2/h9,11H,3-8H2,1-2H3
InChIKeyCGPLDOBHUBJVAR-UHFFFAOYSA-N
MW228.30 g/mol
LogP0.05
Rot. Bonds9

About 1-[1-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]-N-methylmethanamine

1-[1-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]-N-methylmethanamine (PubChem CID 103413590) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-[1-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]-N-methylmethanamine
PubChem CID103413590
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name1-[1-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]-N-methylmethanamine
SMILESCNCc1ncn(CCCOCCOC)n1
InChIInChI=1S/C10H20N4O2/c1-11-8-10-12-9-14(13-10)4-3-5-16-7-6-15-2/h9,11H,3-8H2,1-2H3
InChIKeyCGPLDOBHUBJVAR-UHFFFAOYSA-N
XLogP0.05
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 1-[1-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]-N-methylmethanamine (CID 103413590) is 1-[1-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]-N-methylmethanamine is CNCc1ncn(CCCOCCOC)n1.
What is the InChIKey of 1-[1-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]-N-methylmethanamine?
The InChIKey is CGPLDOBHUBJVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-11-8-10-12-9-14(13-10)4-3-5-16-7-6-15-2/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-[1-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]-N-methylmethanamine?
1-[1-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]-N-methylmethanamine has a molecular weight of 228.30 g/mol, XLogP of 0.05, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 103413590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).