N-(2-ethyl-1,2,4-triazol-3-yl)-1-oxo-2,3-dihydroindene-4-carboxamide

C14H14N4O2 — CID 156586266

IUPACN-(2-ethyl-1,2,4-triazol-3-yl)-1-oxo-2,3-dihydroindene-4-carboxamide
SMILESCCn1ncnc1NC(=O)c1cccc2c1CCC2=O
InChIInChI=1S/C14H14N4O2/c1-2-18-14(15-8-16-18)17-13(20)11-5-3-4-10-9(11)6-7-12(10)19/h3-5,8H,2,6-7H2,1H3,(H,15,16,17,20)
InChIKeyMZOONEYFBWXNMM-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.68
Rot. Bonds3

About N-(2-ethyl-1,2,4-triazol-3-yl)-1-oxo-2,3-dihydroindene-4-carboxamide

N-(2-ethyl-1,2,4-triazol-3-yl)-1-oxo-2,3-dihydroindene-4-carboxamide (PubChem CID 156586266) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(2-ethyl-1,2,4-triazol-3-yl)-1-oxo-2,3-dihydroindene-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-1,2,4-triazol-3-yl)-1-oxo-2,3-dihydroindene-4-carboxamide
PubChem CID156586266
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-(2-ethyl-1,2,4-triazol-3-yl)-1-oxo-2,3-dihydroindene-4-carboxamide
SMILESCCn1ncnc1NC(=O)c1cccc2c1CCC2=O
InChIInChI=1S/C14H14N4O2/c1-2-18-14(15-8-16-18)17-13(20)11-5-3-4-10-9(11)6-7-12(10)19/h3-5,8H,2,6-7H2,1H3,(H,15,16,17,20)
InChIKeyMZOONEYFBWXNMM-UHFFFAOYSA-N
XLogP1.68
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1,2,4-triazol-3-yl)-1-oxo-2,3-dihydroindene-4-carboxamide?
The IUPAC name of N-(2-ethyl-1,2,4-triazol-3-yl)-1-oxo-2,3-dihydroindene-4-carboxamide (CID 156586266) is N-(2-ethyl-1,2,4-triazol-3-yl)-1-oxo-2,3-dihydroindene-4-carboxamide.
What is the SMILES notation for N-(2-ethyl-1,2,4-triazol-3-yl)-1-oxo-2,3-dihydroindene-4-carboxamide?
The canonical SMILES for N-(2-ethyl-1,2,4-triazol-3-yl)-1-oxo-2,3-dihydroindene-4-carboxamide is CCn1ncnc1NC(=O)c1cccc2c1CCC2=O.
What is the InChIKey of N-(2-ethyl-1,2,4-triazol-3-yl)-1-oxo-2,3-dihydroindene-4-carboxamide?
The InChIKey is MZOONEYFBWXNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-2-18-14(15-8-16-18)17-13(20)11-5-3-4-10-9(11)6-7-12(10)19/h3-5,8H,2,6-7H2,1H3,(H,15,16,17,20).
What are the key properties of N-(2-ethyl-1,2,4-triazol-3-yl)-1-oxo-2,3-dihydroindene-4-carboxamide?
N-(2-ethyl-1,2,4-triazol-3-yl)-1-oxo-2,3-dihydroindene-4-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1,2,4-triazol-3-yl)-1-oxo-2,3-dihydroindene-4-carboxamide is sourced from PubChem (CID 156586266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).