N-[2-(2-methoxyethyl)phenyl]-1-phenyl-1,2,4-triazole-3-carboxamide

C18H18N4O2 — CID 166217474

IUPACN-[2-(2-methoxyethyl)phenyl]-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCOCCc1ccccc1NC(=O)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C18H18N4O2/c1-24-12-11-14-7-5-6-10-16(14)20-18(23)17-19-13-22(21-17)15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H,20,23)
InChIKeyHPEQGGXHCDHGNO-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.71
Rot. Bonds6

About N-[2-(2-methoxyethyl)phenyl]-1-phenyl-1,2,4-triazole-3-carboxamide

N-[2-(2-methoxyethyl)phenyl]-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 166217474) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[2-(2-methoxyethyl)phenyl]-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethyl)phenyl]-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID166217474
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[2-(2-methoxyethyl)phenyl]-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCOCCc1ccccc1NC(=O)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C18H18N4O2/c1-24-12-11-14-7-5-6-10-16(14)20-18(23)17-19-13-22(21-17)15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H,20,23)
InChIKeyHPEQGGXHCDHGNO-UHFFFAOYSA-N
XLogP2.71
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide
CID 2991256
N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 139472699
4-amino-N-[2-(2-methoxyethyl)phenyl]-1,3-dimethylpyrazole-5-carboxamide
CID 102903117
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
N-(3,4-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 15944274
N-[2-(2-methoxyethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 102907600
N-(4-acetylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 2984874
5-[[2-(2-methoxyethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid
CID 102907527
5-amino-N-[2-(2-methoxyethyl)phenyl]pyrazine-2-carboxamide
CID 107377211
3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea
CID 102847778
N-[2-(2-methoxyethyl)phenyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 102907598
2,3-dihydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide
CID 102906466

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethyl)phenyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyethyl)phenyl]-1-phenyl-1,2,4-triazole-3-carboxamide (CID 166217474) is N-[2-(2-methoxyethyl)phenyl]-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethyl)phenyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethyl)phenyl]-1-phenyl-1,2,4-triazole-3-carboxamide is COCCc1ccccc1NC(=O)c1ncn(-c2ccccc2)n1.
What is the InChIKey of N-[2-(2-methoxyethyl)phenyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is HPEQGGXHCDHGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-12-11-14-7-5-6-10-16(14)20-18(23)17-19-13-22(21-17)15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H,20,23).
What are the key properties of N-[2-(2-methoxyethyl)phenyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
N-[2-(2-methoxyethyl)phenyl]-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethyl)phenyl]-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 166217474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).