2-[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylamino]ethoxy]acetamide

C10H19N5O2 — CID 106237724

IUPAC2-[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylamino]ethoxy]acetamide
SMILESCC(C)n1ncnc1CNCCOCC(N)=O
InChIInChI=1S/C10H19N5O2/c1-8(2)15-10(13-7-14-15)5-12-3-4-17-6-9(11)16/h7-8,12H,3-6H2,1-2H3,(H2,11,16)
InChIKeyRNRQTIMXWFUFGP-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.55
Rot. Bonds8

About 2-[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylamino]ethoxy]acetamide

2-[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylamino]ethoxy]acetamide (PubChem CID 106237724) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylamino]ethoxy]acetamide
PubChem CID106237724
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name2-[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylamino]ethoxy]acetamide
SMILESCC(C)n1ncnc1CNCCOCC(N)=O
InChIInChI=1S/C10H19N5O2/c1-8(2)15-10(13-7-14-15)5-12-3-4-17-6-9(11)16/h7-8,12H,3-6H2,1-2H3,(H2,11,16)
InChIKeyRNRQTIMXWFUFGP-UHFFFAOYSA-N
XLogP-0.55
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.55
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-[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylamino]ethoxy]acetamide (CID 106237724) is 2-[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylamino]ethoxy]acetamide is CC(C)n1ncnc1CNCCOCC(N)=O.
What is the InChIKey of 2-[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylamino]ethoxy]acetamide?
The InChIKey is RNRQTIMXWFUFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-8(2)15-10(13-7-14-15)5-12-3-4-17-6-9(11)16/h7-8,12H,3-6H2,1-2H3,(H2,11,16).
What are the key properties of 2-[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylamino]ethoxy]acetamide?
2-[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylamino]ethoxy]acetamide has a molecular weight of 241.29 g/mol, XLogP of -0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylamino]ethoxy]acetamide is sourced from PubChem (CID 106237724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).