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

C11H21N5O3 — CID 55000617

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCCN(C(=O)Cn1cnc(N)n1)C(C)COC
InChIInChI=1S/C11H21N5O3/c1-9(7-19-3)16(4-5-18-2)10(17)6-15-8-13-11(12)14-15/h8-9H,4-7H2,1-3H3,(H2,12,14)
InChIKeyMBNMKKJVFDRFSQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.63
Rot. Bonds8

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

2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 55000617) has the molecular formula C11H21N5O3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID55000617
Molecular FormulaC11H21N5O3
Molecular Weight271.32 g/mol
Exact Mass271.16
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCCN(C(=O)Cn1cnc(N)n1)C(C)COC
InChIInChI=1S/C11H21N5O3/c1-9(7-19-3)16(4-5-18-2)10(17)6-15-8-13-11(12)14-15/h8-9H,4-7H2,1-3H3,(H2,12,14)
InChIKeyMBNMKKJVFDRFSQ-UHFFFAOYSA-N
XLogP-0.63
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)acetamide (CID 55000617) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)acetamide is COCCN(C(=O)Cn1cnc(N)n1)C(C)COC.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is MBNMKKJVFDRFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3/c1-9(7-19-3)16(4-5-18-2)10(17)6-15-8-13-11(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-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 271.32 g/mol, XLogP of -0.63, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 55000617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).