2-(benzotriazol-1-yl)-N-cyclopentylacetamide

C13H16N4O — CID 7504254

IUPAC2-(benzotriazol-1-yl)-N-cyclopentylacetamide
SMILESO=C(Cn1nnc2ccccc21)NC1CCCC1
InChIInChI=1S/C13H16N4O/c18-13(14-10-5-1-2-6-10)9-17-12-8-4-3-7-11(12)15-16-17/h3-4,7-8,10H,1-2,5-6,9H2,(H,14,18)
InChIKeyAMRFOGYHQRCGOL-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.49
Rot. Bonds3

About 2-(benzotriazol-1-yl)-N-cyclopentylacetamide

2-(benzotriazol-1-yl)-N-cyclopentylacetamide (PubChem CID 7504254) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-cyclopentylacetamide
PubChem CID7504254
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-(benzotriazol-1-yl)-N-cyclopentylacetamide
SMILESO=C(Cn1nnc2ccccc21)NC1CCCC1
InChIInChI=1S/C13H16N4O/c18-13(14-10-5-1-2-6-10)9-17-12-8-4-3-7-11(12)15-16-17/h3-4,7-8,10H,1-2,5-6,9H2,(H,14,18)
InChIKeyAMRFOGYHQRCGOL-UHFFFAOYSA-N
XLogP1.49
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-cyclopentylacetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-cyclopentylacetamide (CID 7504254) is 2-(benzotriazol-1-yl)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-cyclopentylacetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-cyclopentylacetamide is O=C(Cn1nnc2ccccc21)NC1CCCC1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-cyclopentylacetamide?
The InChIKey is AMRFOGYHQRCGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c18-13(14-10-5-1-2-6-10)9-17-12-8-4-3-7-11(12)15-16-17/h3-4,7-8,10H,1-2,5-6,9H2,(H,14,18).
What are the key properties of 2-(benzotriazol-1-yl)-N-cyclopentylacetamide?
2-(benzotriazol-1-yl)-N-cyclopentylacetamide has a molecular weight of 244.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-cyclopentylacetamide is sourced from PubChem (CID 7504254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).