2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide

C11H19N5O2 — CID 61434072

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCCN(CC1CCCO1)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C11H19N5O2/c1-2-15(6-9-4-3-5-18-9)10(17)7-16-8-13-11(12)14-16/h8-9H,2-7H2,1H3,(H2,12,14)
InChIKeyRXOPEFVVAZDBDY-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.11
Rot. Bonds5

About 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 61434072) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID61434072
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCCN(CC1CCCO1)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C11H19N5O2/c1-2-15(6-9-4-3-5-18-9)10(17)7-16-8-13-11(12)14-16/h8-9H,2-7H2,1H3,(H2,12,14)
InChIKeyRXOPEFVVAZDBDY-UHFFFAOYSA-N
XLogP-0.11
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide (CID 61434072) is 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide is CCN(CC1CCCO1)C(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is RXOPEFVVAZDBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-2-15(6-9-4-3-5-18-9)10(17)7-16-8-13-11(12)14-16/h8-9H,2-7H2,1H3,(H2,12,14).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 253.31 g/mol, XLogP of -0.11, 5 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-ethyl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 61434072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).