N-(5-hydroxypentyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide

C9H15N5O3 — CID 108525811

IUPACN-(5-hydroxypentyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
SMILESO=C(NCCCCCO)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C9H15N5O3/c15-5-3-1-2-4-10-7(16)8(17)13-9-11-6-12-14-9/h6,15H,1-5H2,(H,10,16)(H2,11,12,13,14,17)
InChIKeyIDFSTFDLNHOOIF-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.98
Rot. Bonds6

About N-(5-hydroxypentyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide

N-(5-hydroxypentyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide (PubChem CID 108525811) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
PubChem CID108525811
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC NameN-(5-hydroxypentyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
SMILESO=C(NCCCCCO)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C9H15N5O3/c15-5-3-1-2-4-10-7(16)8(17)13-9-11-6-12-14-9/h6,15H,1-5H2,(H,10,16)(H2,11,12,13,14,17)
InChIKeyIDFSTFDLNHOOIF-UHFFFAOYSA-N
XLogP-0.98
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide?
The IUPAC name of N-(5-hydroxypentyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide (CID 108525811) is N-(5-hydroxypentyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide?
The canonical SMILES for N-(5-hydroxypentyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide is O=C(NCCCCCO)C(=O)Nc1ncn[nH]1.
What is the InChIKey of N-(5-hydroxypentyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide?
The InChIKey is IDFSTFDLNHOOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c15-5-3-1-2-4-10-7(16)8(17)13-9-11-6-12-14-9/h6,15H,1-5H2,(H,10,16)(H2,11,12,13,14,17).
What are the key properties of N-(5-hydroxypentyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide?
N-(5-hydroxypentyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide has a molecular weight of 241.25 g/mol, XLogP of -0.98, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide is sourced from PubChem (CID 108525811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).