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

C15H18N4O2 — CID 138989358

IUPAC1-ethyl-N-(5-methoxy-2,3-dihydro-1H-inden-4-yl)triazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2c(OC)ccc3c2CCC3)nn1
InChIInChI=1S/C15H18N4O2/c1-3-19-9-12(17-18-19)15(20)16-14-11-6-4-5-10(11)7-8-13(14)21-2/h7-9H,3-6H2,1-2H3,(H,16,20)
InChIKeyPEHAJVAAYJNBNM-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.05
Rot. Bonds4

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

1-ethyl-N-(5-methoxy-2,3-dihydro-1H-inden-4-yl)triazole-4-carboxamide (PubChem CID 138989358) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-ethyl-N-(5-methoxy-2,3-dihydro-1H-inden-4-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(5-methoxy-2,3-dihydro-1H-inden-4-yl)triazole-4-carboxamide
PubChem CID138989358
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name1-ethyl-N-(5-methoxy-2,3-dihydro-1H-inden-4-yl)triazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2c(OC)ccc3c2CCC3)nn1
InChIInChI=1S/C15H18N4O2/c1-3-19-9-12(17-18-19)15(20)16-14-11-6-4-5-10(11)7-8-13(14)21-2/h7-9H,3-6H2,1-2H3,(H,16,20)
InChIKeyPEHAJVAAYJNBNM-UHFFFAOYSA-N
XLogP2.05
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(5-methoxy-2,3-dihydro-1H-inden-4-yl)triazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-(5-methoxy-2,3-dihydro-1H-inden-4-yl)triazole-4-carboxamide (CID 138989358) is 1-ethyl-N-(5-methoxy-2,3-dihydro-1H-inden-4-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-(5-methoxy-2,3-dihydro-1H-inden-4-yl)triazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-(5-methoxy-2,3-dihydro-1H-inden-4-yl)triazole-4-carboxamide is CCn1cc(C(=O)Nc2c(OC)ccc3c2CCC3)nn1.
What is the InChIKey of 1-ethyl-N-(5-methoxy-2,3-dihydro-1H-inden-4-yl)triazole-4-carboxamide?
The InChIKey is PEHAJVAAYJNBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-19-9-12(17-18-19)15(20)16-14-11-6-4-5-10(11)7-8-13(14)21-2/h7-9H,3-6H2,1-2H3,(H,16,20).
What are the key properties of 1-ethyl-N-(5-methoxy-2,3-dihydro-1H-inden-4-yl)triazole-4-carboxamide?
1-ethyl-N-(5-methoxy-2,3-dihydro-1H-inden-4-yl)triazole-4-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(5-methoxy-2,3-dihydro-1H-inden-4-yl)triazole-4-carboxamide is sourced from PubChem (CID 138989358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).