2-(3-amino-1,2,4-triazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide

C11H21N5O2 — CID 55001610

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide
SMILESCCC(C)N(CCOC)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C11H21N5O2/c1-4-9(2)16(5-6-18-3)10(17)7-15-8-13-11(12)14-15/h8-9H,4-7H2,1-3H3,(H2,12,14)
InChIKeyFUQZNHFYOPBNKZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.13
Rot. Bonds7

About 2-(3-amino-1,2,4-triazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide (PubChem CID 55001610) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide
PubChem CID55001610
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide
SMILESCCC(C)N(CCOC)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C11H21N5O2/c1-4-9(2)16(5-6-18-3)10(17)7-15-8-13-11(12)14-15/h8-9H,4-7H2,1-3H3,(H2,12,14)
InChIKeyFUQZNHFYOPBNKZ-UHFFFAOYSA-N
XLogP0.13
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide (CID 55001610) is 2-(3-amino-1,2,4-triazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide is CCC(C)N(CCOC)C(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide?
The InChIKey is FUQZNHFYOPBNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-4-9(2)16(5-6-18-3)10(17)7-15-8-13-11(12)14-15/h8-9H,4-7H2,1-3H3,(H2,12,14).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide has a molecular weight of 255.32 g/mol, XLogP of 0.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 55001610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).