N-(4-hydroxypentyl)-2-(1,2,4-triazol-1-yl)acetamide

C9H16N4O2 — CID 107300236

IUPACN-(4-hydroxypentyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(O)CCCNC(=O)Cn1cncn1
InChIInChI=1S/C9H16N4O2/c1-8(14)3-2-4-11-9(15)5-13-7-10-6-12-13/h6-8,14H,2-5H2,1H3,(H,11,15)
InChIKeyBONQWAGMRZSEAQ-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.44
Rot. Bonds6

About N-(4-hydroxypentyl)-2-(1,2,4-triazol-1-yl)acetamide

N-(4-hydroxypentyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 107300236) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-(4-hydroxypentyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID107300236
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-(4-hydroxypentyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(O)CCCNC(=O)Cn1cncn1
InChIInChI=1S/C9H16N4O2/c1-8(14)3-2-4-11-9(15)5-13-7-10-6-12-13/h6-8,14H,2-5H2,1H3,(H,11,15)
InChIKeyBONQWAGMRZSEAQ-UHFFFAOYSA-N
XLogP-0.44
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxypropylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 104593785
N-(2-aminobutyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 63730542
N-(2-azidoethyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 61342865
2-methyl-6-[[2-(1,2,4-triazol-1-yl)acetyl]amino]heptanoic acid
CID 65285659
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 103769453
N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 83032454
N-(4-hydroxypentyl)propanamide
CID 107299540
N-(1-methylcyclopropyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 130626359
N-(4-hydroxypentyl)-3-imidazol-1-ylpropanamide
CID 107299783
2-ethyl-2-[[[2-(1,2,4-triazol-1-yl)acetyl]amino]methyl]butanoic acid
CID 113308433
N-[2-(1H-imidazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 115649558
2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanediamide
CID 136576473

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(4-hydroxypentyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 107300236) is N-(4-hydroxypentyl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(4-hydroxypentyl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(4-hydroxypentyl)-2-(1,2,4-triazol-1-yl)acetamide is CC(O)CCCNC(=O)Cn1cncn1.
What is the InChIKey of N-(4-hydroxypentyl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is BONQWAGMRZSEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-8(14)3-2-4-11-9(15)5-13-7-10-6-12-13/h6-8,14H,2-5H2,1H3,(H,11,15).
What are the key properties of N-(4-hydroxypentyl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(4-hydroxypentyl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 212.25 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 107300236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).