N-(1-naphthalen-1-ylethyl)-2H-triazole-4-carboxamide

C15H14N4O — CID 112732639

IUPACN-(1-naphthalen-1-ylethyl)-2H-triazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]n1)c1cccc2ccccc12
InChIInChI=1S/C15H14N4O/c1-10(17-15(20)14-9-16-19-18-14)12-8-4-6-11-5-2-3-7-13(11)12/h2-10H,1H3,(H,17,20)(H,16,18,19)
InChIKeyNUHRHEUVMRZWPC-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.45
Rot. Bonds3

About N-(1-naphthalen-1-ylethyl)-2H-triazole-4-carboxamide

N-(1-naphthalen-1-ylethyl)-2H-triazole-4-carboxamide (PubChem CID 112732639) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylethyl)-2H-triazole-4-carboxamide
PubChem CID112732639
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-(1-naphthalen-1-ylethyl)-2H-triazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]n1)c1cccc2ccccc12
InChIInChI=1S/C15H14N4O/c1-10(17-15(20)14-9-16-19-18-14)12-8-4-6-11-5-2-3-7-13(11)12/h2-10H,1H3,(H,17,20)(H,16,18,19)
InChIKeyNUHRHEUVMRZWPC-UHFFFAOYSA-N
XLogP2.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-2H-triazole-4-carboxamide
CID 47334802
5-cyclopropyl-N-(1-naphthalen-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 46577659
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
N-[1-(3-fluorophenyl)ethyl]-2H-triazole-4-carboxamide
CID 47334811
N-[(1R)-1-naphthalen-1-ylethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982863
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
2-amino-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 131858457
5-(1H-indazol-5-yl)-N-[(1S)-1-naphthalen-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 68990785
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2H-triazole-4-carboxamide
CID 112733384
3-methoxy-N-[(1R)-1-naphthalen-1-ylethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118663073

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(1-naphthalen-1-ylethyl)-2H-triazole-4-carboxamide (CID 112732639) is N-(1-naphthalen-1-ylethyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(1-naphthalen-1-ylethyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(1-naphthalen-1-ylethyl)-2H-triazole-4-carboxamide is CC(NC(=O)c1cn[nH]n1)c1cccc2ccccc12.
What is the InChIKey of N-(1-naphthalen-1-ylethyl)-2H-triazole-4-carboxamide?
The InChIKey is NUHRHEUVMRZWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10(17-15(20)14-9-16-19-18-14)12-8-4-6-11-5-2-3-7-13(11)12/h2-10H,1H3,(H,17,20)(H,16,18,19).
What are the key properties of N-(1-naphthalen-1-ylethyl)-2H-triazole-4-carboxamide?
N-(1-naphthalen-1-ylethyl)-2H-triazole-4-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylethyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 112732639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).