2-(3-amino-1,2,4-triazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide

C9H17N5O3 — CID 106242189

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide
SMILESCOCC(O)CCNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C9H17N5O3/c1-17-5-7(15)2-3-11-8(16)4-14-6-12-9(10)13-14/h6-7,15H,2-5H2,1H3,(H2,10,13)(H,11,16)
InChIKeyOYSVQFYQLUQFEL-UHFFFAOYSA-N
MW243.27 g/mol
LogP-1.63
Rot. Bonds7

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide (PubChem CID 106242189) has the molecular formula C9H17N5O3 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide
PubChem CID106242189
Molecular FormulaC9H17N5O3
Molecular Weight243.27 g/mol
Exact Mass243.13
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide
SMILESCOCC(O)CCNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C9H17N5O3/c1-17-5-7(15)2-3-11-8(16)4-14-6-12-9(10)13-14/h6-7,15H,2-5H2,1H3,(H2,10,13)(H,11,16)
InChIKeyOYSVQFYQLUQFEL-UHFFFAOYSA-N
XLogP-1.63
TPSA115.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-aminopyrazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 114162948
2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3-dihydroxypropyl)acetamide
CID 66177776
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(3-amino-1,2,4-triazol-1-yl)acetamide
CID 106233336
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(dimethylcarbamoylamino)ethyl]acetamide
CID 83107218
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-phenoxyethyl)acetamide
CID 55012849
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-sulfamoylethyl)acetamide
CID 61016737
2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-tert-butylacetamide
CID 113293105
methyl 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-3-methylbutanoate
CID 54901524
2-(3-carbamothioyl-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)acetamide
CID 62950901
3-(4-aminophenyl)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 106242200
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
CID 106425302
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61241529

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide (CID 106242189) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide is COCC(O)CCNC(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide?
The InChIKey is OYSVQFYQLUQFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3/c1-17-5-7(15)2-3-11-8(16)4-14-6-12-9(10)13-14/h6-7,15H,2-5H2,1H3,(H2,10,13)(H,11,16).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide has a molecular weight of 243.27 g/mol, XLogP of -1.63, 7 rotatable bonds, 3 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-(3-hydroxy-4-methoxybutyl)acetamide is sourced from PubChem (CID 106242189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).