N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C15H18N4O2 — CID 107127207

IUPACN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCCOc1n[nH]c(NC(=O)C2CCc3ccccc3C2)n1
InChIInChI=1S/C15H18N4O2/c1-2-21-15-17-14(18-19-15)16-13(20)12-8-7-10-5-3-4-6-11(10)9-12/h3-6,12H,2,7-9H2,1H3,(H2,16,17,18,19,20)
InChIKeyYOEOBTKBNGUZJI-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.95
Rot. Bonds4

About N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 107127207) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID107127207
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCCOc1n[nH]c(NC(=O)C2CCc3ccccc3C2)n1
InChIInChI=1S/C15H18N4O2/c1-2-21-15-17-14(18-19-15)16-13(20)12-8-7-10-5-3-4-6-11(10)9-12/h3-6,12H,2,7-9H2,1H3,(H2,16,17,18,19,20)
InChIKeyYOEOBTKBNGUZJI-UHFFFAOYSA-N
XLogP1.95
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
CID 75448846
(2R)-2-(2,6-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide
CID 97803425
2-(2,6-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide
CID 75499361
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 83090112
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 83090470
3-(4-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide
CID 83092568
2-(2-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83092844
2-(4-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83092932
2-(3-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83092947
2-(2,3-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83101153
3-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide
CID 83101811
2-(2,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83101814

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 107127207) is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CCOc1n[nH]c(NC(=O)C2CCc3ccccc3C2)n1.
What is the InChIKey of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is YOEOBTKBNGUZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-21-15-17-14(18-19-15)16-13(20)12-8-7-10-5-3-4-6-11(10)9-12/h3-6,12H,2,7-9H2,1H3,(H2,16,17,18,19,20).
What are the key properties of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107127207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).