2-cyclopent-2-en-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide

C14H15N5O — CID 42945060

IUPAC2-cyclopent-2-en-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
SMILESO=C(CC1C=CCC1)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C14H15N5O/c20-14(7-11-3-1-2-4-11)18-12-5-6-13(16-8-12)19-10-15-9-17-19/h1,3,5-6,8-11H,2,4,7H2,(H,18,20)
InChIKeyBJDJLAQNPSXHFL-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.96
Rot. Bonds4

About 2-cyclopent-2-en-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide

2-cyclopent-2-en-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide (PubChem CID 42945060) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
PubChem CID42945060
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-cyclopent-2-en-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
SMILESO=C(CC1C=CCC1)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C14H15N5O/c20-14(7-11-3-1-2-4-11)18-12-5-6-13(16-8-12)19-10-15-9-17-19/h1,3,5-6,8-11H,2,4,7H2,(H,18,20)
InChIKeyBJDJLAQNPSXHFL-UHFFFAOYSA-N
XLogP1.96
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide (CID 42945060) is 2-cyclopent-2-en-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide is O=C(CC1C=CCC1)Nc1ccc(-n2cncn2)nc1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide?
The InChIKey is BJDJLAQNPSXHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c20-14(7-11-3-1-2-4-11)18-12-5-6-13(16-8-12)19-10-15-9-17-19/h1,3,5-6,8-11H,2,4,7H2,(H,18,20).
What are the key properties of 2-cyclopent-2-en-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide?
2-cyclopent-2-en-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide has a molecular weight of 269.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 42945060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).