N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-hydroxypentanamide

C9H16N4O3 — CID 104818903

IUPACN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-hydroxypentanamide
SMILESCCOc1n[nH]c(NC(=O)CCCCO)n1
InChIInChI=1S/C9H16N4O3/c1-2-16-9-11-8(12-13-9)10-7(15)5-3-4-6-14/h14H,2-6H2,1H3,(H2,10,11,12,13,15)
InChIKeyQSYAJIZRFQDZCH-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.30
Rot. Bonds7

About N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-hydroxypentanamide

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-hydroxypentanamide (PubChem CID 104818903) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-hydroxypentanamide.

Molecular Properties

Compound NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-hydroxypentanamide
PubChem CID104818903
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-hydroxypentanamide
SMILESCCOc1n[nH]c(NC(=O)CCCCO)n1
InChIInChI=1S/C9H16N4O3/c1-2-16-9-11-8(12-13-9)10-7(15)5-3-4-6-14/h14H,2-6H2,1H3,(H2,10,11,12,13,15)
InChIKeyQSYAJIZRFQDZCH-UHFFFAOYSA-N
XLogP0.30
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-hydroxypentanamide?
The IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-hydroxypentanamide (CID 104818903) is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-hydroxypentanamide.
What is the SMILES notation for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-hydroxypentanamide?
The canonical SMILES for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-hydroxypentanamide is CCOc1n[nH]c(NC(=O)CCCCO)n1.
What is the InChIKey of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-hydroxypentanamide?
The InChIKey is QSYAJIZRFQDZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-2-16-9-11-8(12-13-9)10-7(15)5-3-4-6-14/h14H,2-6H2,1H3,(H2,10,11,12,13,15).
What are the key properties of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-hydroxypentanamide?
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-hydroxypentanamide has a molecular weight of 228.25 g/mol, XLogP of 0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-hydroxypentanamide is sourced from PubChem (CID 104818903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).