1-(2-ethoxyphenyl)-5-methyl-N-(2-pyrazin-2-ylethyl)triazole-4-carboxamide

C18H20N6O2 — CID 46971316

IUPAC1-(2-ethoxyphenyl)-5-methyl-N-(2-pyrazin-2-ylethyl)triazole-4-carboxamide
SMILESCCOc1ccccc1-n1nnc(C(=O)NCCc2cnccn2)c1C
InChIInChI=1S/C18H20N6O2/c1-3-26-16-7-5-4-6-15(16)24-13(2)17(22-23-24)18(25)21-9-8-14-12-19-10-11-20-14/h4-7,10-12H,3,8-9H2,1-2H3,(H,21,25)
InChIKeySCQQIESFZYLBCN-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.74
Rot. Bonds7

About 1-(2-ethoxyphenyl)-5-methyl-N-(2-pyrazin-2-ylethyl)triazole-4-carboxamide

1-(2-ethoxyphenyl)-5-methyl-N-(2-pyrazin-2-ylethyl)triazole-4-carboxamide (PubChem CID 46971316) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-5-methyl-N-(2-pyrazin-2-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-5-methyl-N-(2-pyrazin-2-ylethyl)triazole-4-carboxamide
PubChem CID46971316
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name1-(2-ethoxyphenyl)-5-methyl-N-(2-pyrazin-2-ylethyl)triazole-4-carboxamide
SMILESCCOc1ccccc1-n1nnc(C(=O)NCCc2cnccn2)c1C
InChIInChI=1S/C18H20N6O2/c1-3-26-16-7-5-4-6-15(16)24-13(2)17(22-23-24)18(25)21-9-8-14-12-19-10-11-20-14/h4-7,10-12H,3,8-9H2,1-2H3,(H,21,25)
InChIKeySCQQIESFZYLBCN-UHFFFAOYSA-N
XLogP1.74
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-ethoxy-6-methylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 127046482
1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 6493760
(2-methylphenyl)methyl 1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxylate
CID 27375313
N-(2-ethoxyphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 22516243
1-(2-ethoxyphenyl)-5-ethyltriazole-4-carboxylic acid
CID 53335498
1-(4-bromophenyl)-N-[(2-ethoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858206
1-(2-methoxyphenyl)-5-methyl-N-[(2-phenoxy-4-pyridinyl)methyl]triazole-4-carboxamide
CID 47036917
1-(3-chlorophenyl)-N-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 6484735
1-(2-chlorophenyl)-N-(4-methoxy-3-pyridinyl)-5-methyltriazole-4-carboxamide
CID 56825593
3-(2-ethoxyphenyl)benzotriazole-5-carboxylic acid
CID 82770773
N-(2-ethoxy-6-methylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 127046483
5-cyclobutyl-1-(2-ethoxyphenyl)triazole-4-carboxylic acid
CID 82201408

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-5-methyl-N-(2-pyrazin-2-ylethyl)triazole-4-carboxamide?
The IUPAC name of 1-(2-ethoxyphenyl)-5-methyl-N-(2-pyrazin-2-ylethyl)triazole-4-carboxamide (CID 46971316) is 1-(2-ethoxyphenyl)-5-methyl-N-(2-pyrazin-2-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(2-ethoxyphenyl)-5-methyl-N-(2-pyrazin-2-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(2-ethoxyphenyl)-5-methyl-N-(2-pyrazin-2-ylethyl)triazole-4-carboxamide is CCOc1ccccc1-n1nnc(C(=O)NCCc2cnccn2)c1C.
What is the InChIKey of 1-(2-ethoxyphenyl)-5-methyl-N-(2-pyrazin-2-ylethyl)triazole-4-carboxamide?
The InChIKey is SCQQIESFZYLBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-3-26-16-7-5-4-6-15(16)24-13(2)17(22-23-24)18(25)21-9-8-14-12-19-10-11-20-14/h4-7,10-12H,3,8-9H2,1-2H3,(H,21,25).
What are the key properties of 1-(2-ethoxyphenyl)-5-methyl-N-(2-pyrazin-2-ylethyl)triazole-4-carboxamide?
1-(2-ethoxyphenyl)-5-methyl-N-(2-pyrazin-2-ylethyl)triazole-4-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-5-methyl-N-(2-pyrazin-2-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 46971316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).