5-(2-methoxynaphthalen-1-yl)-2H-triazole-4-carboxamide

C14H12N4O2 — CID 169402068

IUPAC5-(2-methoxynaphthalen-1-yl)-2H-triazole-4-carboxamide
SMILESCOc1ccc2ccccc2c1-c1n[nH]nc1C(N)=O
InChIInChI=1S/C14H12N4O2/c1-20-10-7-6-8-4-2-3-5-9(8)11(10)12-13(14(15)19)17-18-16-12/h2-7H,1H3,(H2,15,19)(H,16,17,18)
InChIKeyXIWUGIFDMIXCTI-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.73
Rot. Bonds3

About 5-(2-methoxynaphthalen-1-yl)-2H-triazole-4-carboxamide

5-(2-methoxynaphthalen-1-yl)-2H-triazole-4-carboxamide (PubChem CID 169402068) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 5-(2-methoxynaphthalen-1-yl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-methoxynaphthalen-1-yl)-2H-triazole-4-carboxamide
PubChem CID169402068
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name5-(2-methoxynaphthalen-1-yl)-2H-triazole-4-carboxamide
SMILESCOc1ccc2ccccc2c1-c1n[nH]nc1C(N)=O
InChIInChI=1S/C14H12N4O2/c1-20-10-7-6-8-4-2-3-5-9(8)11(10)12-13(14(15)19)17-18-16-12/h2-7H,1H3,(H2,15,19)(H,16,17,18)
InChIKeyXIWUGIFDMIXCTI-UHFFFAOYSA-N
XLogP1.73
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402103
5-(2-bromo-6-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402418
5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402198
5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081
4-(2-methoxynaphthalen-1-yl)-2-methyl-1,3-thiazol-5-amine
CID 62082718
5-[3-(aminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169404272
5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402032
[3-(2-methoxynaphthalen-1-yl)pyrazin-2-yl]hydrazine
CID 115914380
5-[3-(3-fluoro-4-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
CID 169403048
ethyl 3-(2-methoxynaphthalen-1-yl)-5-methyl-1,2-oxazole-4-carboxylate
CID 102309206
methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-methoxybenzoate
CID 169402123
5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide
CID 169402811

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxynaphthalen-1-yl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(2-methoxynaphthalen-1-yl)-2H-triazole-4-carboxamide (CID 169402068) is 5-(2-methoxynaphthalen-1-yl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(2-methoxynaphthalen-1-yl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(2-methoxynaphthalen-1-yl)-2H-triazole-4-carboxamide is COc1ccc2ccccc2c1-c1n[nH]nc1C(N)=O.
What is the InChIKey of 5-(2-methoxynaphthalen-1-yl)-2H-triazole-4-carboxamide?
The InChIKey is XIWUGIFDMIXCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-20-10-7-6-8-4-2-3-5-9(8)11(10)12-13(14(15)19)17-18-16-12/h2-7H,1H3,(H2,15,19)(H,16,17,18).
What are the key properties of 5-(2-methoxynaphthalen-1-yl)-2H-triazole-4-carboxamide?
5-(2-methoxynaphthalen-1-yl)-2H-triazole-4-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxynaphthalen-1-yl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).