N-(3-cyclopentyloxypropyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide

C12H20N4O3 — CID 137025359

IUPACN-(3-cyclopentyloxypropyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)[nH]1)NCCCOC1CCCC1
InChIInChI=1S/C12H20N4O3/c17-11(8-10-14-12(18)16-15-10)13-6-3-7-19-9-4-1-2-5-9/h9H,1-8H2,(H,13,17)(H2,14,15,16,18)
InChIKeyLUBBTSALEKMRJT-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.11
Rot. Bonds7

About N-(3-cyclopentyloxypropyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide

N-(3-cyclopentyloxypropyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide (PubChem CID 137025359) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(3-cyclopentyloxypropyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxypropyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide
PubChem CID137025359
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-(3-cyclopentyloxypropyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)[nH]1)NCCCOC1CCCC1
InChIInChI=1S/C12H20N4O3/c17-11(8-10-14-12(18)16-15-10)13-6-3-7-19-9-4-1-2-5-9/h9H,1-8H2,(H,13,17)(H2,14,15,16,18)
InChIKeyLUBBTSALEKMRJT-UHFFFAOYSA-N
XLogP0.11
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-(3-cyclopentyloxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
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CID 100564682
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CID 65349877
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyclohexyloxypropyl)acetamide
CID 31950779
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CID 40659124
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N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxypropyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of N-(3-cyclopentyloxypropyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide (CID 137025359) is N-(3-cyclopentyloxypropyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for N-(3-cyclopentyloxypropyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for N-(3-cyclopentyloxypropyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide is O=C(Cc1n[nH]c(=O)[nH]1)NCCCOC1CCCC1.
What is the InChIKey of N-(3-cyclopentyloxypropyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide?
The InChIKey is LUBBTSALEKMRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c17-11(8-10-14-12(18)16-15-10)13-6-3-7-19-9-4-1-2-5-9/h9H,1-8H2,(H,13,17)(H2,14,15,16,18).
What are the key properties of N-(3-cyclopentyloxypropyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide?
N-(3-cyclopentyloxypropyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide has a molecular weight of 268.32 g/mol, XLogP of 0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxypropyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 137025359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).