2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide

C10H19N5O2 — CID 114419809

IUPAC2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)n1cc(C(C)N)nn1
InChIInChI=1S/C10H19N5O2/c1-7(11)9-6-15(14-13-9)8(2)10(16)12-4-5-17-3/h6-8H,4-5,11H2,1-3H3,(H,12,16)
InChIKeyFHWSLIQOLUHTPY-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.38
Rot. Bonds6

About 2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide

2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 114419809) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide
PubChem CID114419809
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)n1cc(C(C)N)nn1
InChIInChI=1S/C10H19N5O2/c1-7(11)9-6-15(14-13-9)8(2)10(16)12-4-5-17-3/h6-8H,4-5,11H2,1-3H3,(H,12,16)
InChIKeyFHWSLIQOLUHTPY-UHFFFAOYSA-N
XLogP-0.38
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
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 2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide (CID 114419809) is 2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)n1cc(C(C)N)nn1.
What is the InChIKey of 2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is FHWSLIQOLUHTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-7(11)9-6-15(14-13-9)8(2)10(16)12-4-5-17-3/h6-8H,4-5,11H2,1-3H3,(H,12,16).
What are the key properties of 2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide?
2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 241.29 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 114419809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).