(1R)-3-oxo-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-dihydroindene-1-carboxamide

C18H20N4O2 — CID 98377882

IUPAC(1R)-3-oxo-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-dihydroindene-1-carboxamide
SMILESO=C1C[C@@H](C(=O)NC2CCC(n3cnnc3)CC2)c2ccccc21
InChIInChI=1S/C18H20N4O2/c23-17-9-16(14-3-1-2-4-15(14)17)18(24)21-12-5-7-13(8-6-12)22-10-19-20-11-22/h1-4,10-13,16H,5-9H2,(H,21,24)/t12?,13?,16-/m1/s1
InChIKeyOEXZWFBVHSTVAC-SEEARECTSA-N
MW324.38 g/mol
LogP2.25
Rot. Bonds3

About (1R)-3-oxo-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-dihydroindene-1-carboxamide

(1R)-3-oxo-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-dihydroindene-1-carboxamide (PubChem CID 98377882) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (1R)-3-oxo-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name(1R)-3-oxo-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-dihydroindene-1-carboxamide
PubChem CID98377882
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(1R)-3-oxo-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-dihydroindene-1-carboxamide
SMILESO=C1C[C@@H](C(=O)NC2CCC(n3cnnc3)CC2)c2ccccc21
InChIInChI=1S/C18H20N4O2/c23-17-9-16(14-3-1-2-4-15(14)17)18(24)21-12-5-7-13(8-6-12)22-10-19-20-11-22/h1-4,10-13,16H,5-9H2,(H,21,24)/t12?,13?,16-/m1/s1
InChIKeyOEXZWFBVHSTVAC-SEEARECTSA-N
XLogP2.25
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-oxo-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-dihydroindene-1-carboxamide?
The IUPAC name of (1R)-3-oxo-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-dihydroindene-1-carboxamide (CID 98377882) is (1R)-3-oxo-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-dihydroindene-1-carboxamide.
What is the SMILES notation for (1R)-3-oxo-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-dihydroindene-1-carboxamide?
The canonical SMILES for (1R)-3-oxo-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-dihydroindene-1-carboxamide is O=C1C[C@@H](C(=O)NC2CCC(n3cnnc3)CC2)c2ccccc21.
What is the InChIKey of (1R)-3-oxo-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-dihydroindene-1-carboxamide?
The InChIKey is OEXZWFBVHSTVAC-SEEARECTSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-17-9-16(14-3-1-2-4-15(14)17)18(24)21-12-5-7-13(8-6-12)22-10-19-20-11-22/h1-4,10-13,16H,5-9H2,(H,21,24)/t12?,13?,16-/m1/s1.
What are the key properties of (1R)-3-oxo-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-dihydroindene-1-carboxamide?
(1R)-3-oxo-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-dihydroindene-1-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-oxo-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-dihydroindene-1-carboxamide is sourced from PubChem (CID 98377882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).