2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide

C9H16N4O3 — CID 62399584

IUPAC2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)n1cc(CO)nn1
InChIInChI=1S/C9H16N4O3/c1-7(9(15)10-3-4-16-2)13-5-8(6-14)11-12-13/h5,7,14H,3-4,6H2,1-2H3,(H,10,15)
InChIKeyMVYVZBRPAUIIJG-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.91
Rot. Bonds6

About 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide

2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 62399584) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide
PubChem CID62399584
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)n1cc(CO)nn1
InChIInChI=1S/C9H16N4O3/c1-7(9(15)10-3-4-16-2)13-5-8(6-14)11-12-13/h5,7,14H,3-4,6H2,1-2H3,(H,10,15)
InChIKeyMVYVZBRPAUIIJG-UHFFFAOYSA-N
XLogP-0.91
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide 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

N-(2-methoxyethyl)-2-[4-(methylaminomethyl)triazol-1-yl]propanamide
CID 66192312
2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide
CID 62400159
2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide
CID 114419809
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-methoxypropyl)propanamide
CID 66194678
2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-propan-2-ylpropanamide
CID 66205010
N-(3-methoxypropyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide
CID 66194740
2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)propanamide
CID 82202035
N-cyclohexyl-2-[4-(hydroxymethyl)triazol-1-yl]propanamide
CID 62401094
methyl (2R,3S)-2-amino-3-[4-(hydroxymethyl)triazol-1-yl]butanoate
CID 99737592
N-(3-chloro-4-methylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]propanamide
CID 82202046
2-[4-(hydroxymethyl)triazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 62399963
N-(3-methylbutyl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
CID 66194414

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide (CID 62399584) is 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)n1cc(CO)nn1.
What is the InChIKey of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is MVYVZBRPAUIIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-7(9(15)10-3-4-16-2)13-5-8(6-14)11-12-13/h5,7,14H,3-4,6H2,1-2H3,(H,10,15).
What are the key properties of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide?
2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 228.25 g/mol, XLogP of -0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 62399584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).