2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide

C12H23N5O2 — CID 61109415

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CCOC)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C12H23N5O2/c1-4-10(5-2)17(6-7-19-3)11(18)8-16-9-14-12(13)15-16/h9-10H,4-8H2,1-3H3,(H2,13,15)
InChIKeyOTQZCPAJUFERHM-UHFFFAOYSA-N
MW269.35 g/mol
LogP0.52
Rot. Bonds8

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide (PubChem CID 61109415) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide
PubChem CID61109415
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CCOC)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C12H23N5O2/c1-4-10(5-2)17(6-7-19-3)11(18)8-16-9-14-12(13)15-16/h9-10H,4-8H2,1-3H3,(H2,13,15)
InChIKeyOTQZCPAJUFERHM-UHFFFAOYSA-N
XLogP0.52
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Morpholin-4-yl-2-(1,2,4-triazol-1-yl)propan-1-one
CID 51076698
N-(3-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 53518710
N-(2-morpholin-4-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 53522715
N-butan-2-yl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide
CID 47839833
N-(2-methoxyethyl)-N-pentan-3-yl-2-(tetrazol-1-yl)acetamide
CID 52223081
(2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 94020930
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 61109249
2-(3-amino-1,2,4-triazol-1-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 61110227
N-(2-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 53518144
2-(2,6-dimethylmorpholin-4-yl)-N-[2-(1,2,4-triazol-1-yl)propyl]acetamide
CID 110225961
N-(3-morpholinopropyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 3705407
N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
CID 13036589

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide (CID 61109415) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide is CCC(CC)N(CCOC)C(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide?
The InChIKey is OTQZCPAJUFERHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-4-10(5-2)17(6-7-19-3)11(18)8-16-9-14-12(13)15-16/h9-10H,4-8H2,1-3H3,(H2,13,15).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide has a molecular weight of 269.35 g/mol, XLogP of 0.52, 8 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-(2-methoxyethyl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 61109415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).