N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C15H18N4O — CID 103716538

IUPACN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC(NC(=O)C1CCCc2ccccc21)c1ncn[nH]1
InChIInChI=1S/C15H18N4O/c1-10(14-16-9-17-19-14)18-15(20)13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,9-10,13H,4,6,8H2,1H3,(H,18,20)(H,16,17,19)
InChIKeyGGDYFPCNEJHAFM-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.10
Rot. Bonds3

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

N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 103716538) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID103716538
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC(NC(=O)C1CCCc2ccccc21)c1ncn[nH]1
InChIInChI=1S/C15H18N4O/c1-10(14-16-9-17-19-14)18-15(20)13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,9-10,13H,4,6,8H2,1H3,(H,18,20)(H,16,17,19)
InChIKeyGGDYFPCNEJHAFM-UHFFFAOYSA-N
XLogP2.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 103815072
N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64996915
N-[1-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55576544
N-(4-hydroxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 115734909
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 79245874
N-(1-bromobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 114307725
N-(1-aminobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 63755728
(1S)-N-[(1S)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 94069828
(1R)-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 94069827
(1S)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95317200
N-(1-aminopentan-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62718722
methyl 3-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoate
CID 43423445

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 103716538) is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CC(NC(=O)C1CCCc2ccccc21)c1ncn[nH]1.
What is the InChIKey of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is GGDYFPCNEJHAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10(14-16-9-17-19-14)18-15(20)13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,9-10,13H,4,6,8H2,1H3,(H,18,20)(H,16,17,19).
What are the key properties of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 103716538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).