5-tert-butyl-N-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazole-3-carboxamide

C16H20N4O — CID 107854459

IUPAC5-tert-butyl-N-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazole-3-carboxamide
SMILESCC(C)(C)c1nc(C(=O)NC2Cc3ccccc3C2)n[nH]1
InChIInChI=1S/C16H20N4O/c1-16(2,3)15-18-13(19-20-15)14(21)17-12-8-10-6-4-5-7-11(10)9-12/h4-7,12H,8-9H2,1-3H3,(H,17,21)(H,18,19,20)
InChIKeyQSUGOMQORVAFIY-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.00
Rot. Bonds2

About 5-tert-butyl-N-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazole-3-carboxamide

5-tert-butyl-N-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazole-3-carboxamide (PubChem CID 107854459) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-tert-butyl-N-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazole-3-carboxamide
PubChem CID107854459
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name5-tert-butyl-N-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazole-3-carboxamide
SMILESCC(C)(C)c1nc(C(=O)NC2Cc3ccccc3C2)n[nH]1
InChIInChI=1S/C16H20N4O/c1-16(2,3)15-18-13(19-20-15)14(21)17-12-8-10-6-4-5-7-11(10)9-12/h4-7,12H,8-9H2,1-3H3,(H,17,21)(H,18,19,20)
InChIKeyQSUGOMQORVAFIY-UHFFFAOYSA-N
XLogP2.00
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazole-3-carboxamide (CID 107854459) is 5-tert-butyl-N-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazole-3-carboxamide is CC(C)(C)c1nc(C(=O)NC2Cc3ccccc3C2)n[nH]1.
What is the InChIKey of 5-tert-butyl-N-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is QSUGOMQORVAFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-16(2,3)15-18-13(19-20-15)14(21)17-12-8-10-6-4-5-7-11(10)9-12/h4-7,12H,8-9H2,1-3H3,(H,17,21)(H,18,19,20).
What are the key properties of 5-tert-butyl-N-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazole-3-carboxamide?
5-tert-butyl-N-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 107854459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).