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

C15H14N4O — CID 103716304

IUPACN-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide
SMILESCC(NC(=O)c1ccc2ccccc2c1)c1ncn[nH]1
InChIInChI=1S/C15H14N4O/c1-10(14-16-9-17-19-14)18-15(20)13-7-6-11-4-2-3-5-12(11)8-13/h2-10H,1H3,(H,18,20)(H,16,17,19)
InChIKeyAECVKVHXINHYMH-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.45
Rot. Bonds3

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

N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide (PubChem CID 103716304) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide
PubChem CID103716304
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide
SMILESCC(NC(=O)c1ccc2ccccc2c1)c1ncn[nH]1
InChIInChI=1S/C15H14N4O/c1-10(14-16-9-17-19-14)18-15(20)13-7-6-11-4-2-3-5-12(11)8-13/h2-10H,1H3,(H,18,20)(H,16,17,19)
InChIKeyAECVKVHXINHYMH-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-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 103726002
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 103725984
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103722949
5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 114168195
2-hydrazinyl-6-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 106283116
2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106283174
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide
CID 103716265
4-(acetamidomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716266
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 103725771
N-pentan-2-ylnaphthalene-2-carboxamide
CID 15622075
N-(1-bromopropan-2-yl)naphthalene-2-carboxamide
CID 114310701

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide (CID 103716304) is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide is CC(NC(=O)c1ccc2ccccc2c1)c1ncn[nH]1.
What is the InChIKey of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide?
The InChIKey is AECVKVHXINHYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10(14-16-9-17-19-14)18-15(20)13-7-6-11-4-2-3-5-12(11)8-13/h2-10H,1H3,(H,18,20)(H,16,17,19).
What are the key properties of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide?
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-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-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 103716304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).