5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide

C11H12N4O3 — CID 169402103

IUPAC5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide
SMILESCOc1cccc(OC)c1-c1n[nH]nc1C(N)=O
InChIInChI=1S/C11H12N4O3/c1-17-6-4-3-5-7(18-2)8(6)9-10(11(12)16)14-15-13-9/h3-5H,1-2H3,(H2,12,16)(H,13,14,15)
InChIKeyBFQMCTRLNMDOQO-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.59
Rot. Bonds4

About 5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide

5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide (PubChem CID 169402103) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide
PubChem CID169402103
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide
SMILESCOc1cccc(OC)c1-c1n[nH]nc1C(N)=O
InChIInChI=1S/C11H12N4O3/c1-17-6-4-3-5-7(18-2)8(6)9-10(11(12)16)14-15-13-9/h3-5H,1-2H3,(H2,12,16)(H,13,14,15)
InChIKeyBFQMCTRLNMDOQO-UHFFFAOYSA-N
XLogP0.59
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methoxynaphthalen-1-yl)-2H-triazole-4-carboxamide
CID 169402068
5-(2-bromo-6-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402418
5-[3-(3-fluoro-4-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
CID 169403048
5-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403698
5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402198
5-[2-(3-cyanopropoxy)-3-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403937
5-[3-(aminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169404272
5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402032
5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
CID 169402846
5-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403329
methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-methoxybenzoate
CID 169402123
5-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403701

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide (CID 169402103) is 5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide is COc1cccc(OC)c1-c1n[nH]nc1C(N)=O.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide?
The InChIKey is BFQMCTRLNMDOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-17-6-4-3-5-7(18-2)8(6)9-10(11(12)16)14-15-13-9/h3-5H,1-2H3,(H2,12,16)(H,13,14,15).
What are the key properties of 5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide?
5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide has a molecular weight of 248.24 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).