1-[2-(2-aminoethoxy)ethyl]-N-tert-butyltriazole-4-carboxamide

C11H21N5O2 — CID 58408893

IUPAC1-[2-(2-aminoethoxy)ethyl]-N-tert-butyltriazole-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cn(CCOCCN)nn1
InChIInChI=1S/C11H21N5O2/c1-11(2,3)13-10(17)9-8-16(15-14-9)5-7-18-6-4-12/h8H,4-7,12H2,1-3H3,(H,13,17)
InChIKeyBSOZXCSBQBBNHS-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.22
Rot. Bonds6

About 1-[2-(2-aminoethoxy)ethyl]-N-tert-butyltriazole-4-carboxamide

1-[2-(2-aminoethoxy)ethyl]-N-tert-butyltriazole-4-carboxamide (PubChem CID 58408893) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[2-(2-aminoethoxy)ethyl]-N-tert-butyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-aminoethoxy)ethyl]-N-tert-butyltriazole-4-carboxamide
PubChem CID58408893
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name1-[2-(2-aminoethoxy)ethyl]-N-tert-butyltriazole-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cn(CCOCCN)nn1
InChIInChI=1S/C11H21N5O2/c1-11(2,3)13-10(17)9-8-16(15-14-9)5-7-18-6-4-12/h8H,4-7,12H2,1-3H3,(H,13,17)
InChIKeyBSOZXCSBQBBNHS-UHFFFAOYSA-N
XLogP-0.22
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.22
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 1-[2-(2-aminoethoxy)ethyl]-N-tert-butyltriazole-4-carboxamide?
The IUPAC name of 1-[2-(2-aminoethoxy)ethyl]-N-tert-butyltriazole-4-carboxamide (CID 58408893) is 1-[2-(2-aminoethoxy)ethyl]-N-tert-butyltriazole-4-carboxamide.
What is the SMILES notation for 1-[2-(2-aminoethoxy)ethyl]-N-tert-butyltriazole-4-carboxamide?
The canonical SMILES for 1-[2-(2-aminoethoxy)ethyl]-N-tert-butyltriazole-4-carboxamide is CC(C)(C)NC(=O)c1cn(CCOCCN)nn1.
What is the InChIKey of 1-[2-(2-aminoethoxy)ethyl]-N-tert-butyltriazole-4-carboxamide?
The InChIKey is BSOZXCSBQBBNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-11(2,3)13-10(17)9-8-16(15-14-9)5-7-18-6-4-12/h8H,4-7,12H2,1-3H3,(H,13,17).
What are the key properties of 1-[2-(2-aminoethoxy)ethyl]-N-tert-butyltriazole-4-carboxamide?
1-[2-(2-aminoethoxy)ethyl]-N-tert-butyltriazole-4-carboxamide has a molecular weight of 255.32 g/mol, XLogP of -0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethoxy)ethyl]-N-tert-butyltriazole-4-carboxamide is sourced from PubChem (CID 58408893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).