2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C14H16N4O2 — CID 60983438

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(COc1ccc2c(c1)CCC2)NCc1ncn[nH]1
InChIInChI=1S/C14H16N4O2/c19-14(15-7-13-16-9-17-18-13)8-20-12-5-4-10-2-1-3-11(10)6-12/h4-6,9H,1-3,7-8H2,(H,15,19)(H,16,17,18)
InChIKeyKWVWSVZNQMJBMD-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.99
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 60983438) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID60983438
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(COc1ccc2c(c1)CCC2)NCc1ncn[nH]1
InChIInChI=1S/C14H16N4O2/c19-14(15-7-13-16-9-17-18-13)8-20-12-5-4-10-2-1-3-11(10)6-12/h4-6,9H,1-3,7-8H2,(H,15,19)(H,16,17,18)
InChIKeyKWVWSVZNQMJBMD-UHFFFAOYSA-N
XLogP0.99
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 60983438) is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is O=C(COc1ccc2c(c1)CCC2)NCc1ncn[nH]1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is KWVWSVZNQMJBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-14(15-7-13-16-9-17-18-13)8-20-12-5-4-10-2-1-3-11(10)6-12/h4-6,9H,1-3,7-8H2,(H,15,19)(H,16,17,18).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 272.31 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 60983438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).