1-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide

C12H14N4O2 — CID 27655572

IUPAC1-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCCOc1ccc(-n2nnc(C(N)=O)c2C)cc1
InChIInChI=1S/C12H14N4O2/c1-3-18-10-6-4-9(5-7-10)16-8(2)11(12(13)17)14-15-16/h4-7H,3H2,1-2H3,(H2,13,17)
InChIKeyRLKDVOBBSBSWKK-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.07
Rot. Bonds4

About 1-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide

1-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 27655572) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide
PubChem CID27655572
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCCOc1ccc(-n2nnc(C(N)=O)c2C)cc1
InChIInChI=1S/C12H14N4O2/c1-3-18-10-6-4-9(5-7-10)16-8(2)11(12(13)17)14-15-16/h4-7H,3H2,1-2H3,(H2,13,17)
InChIKeyRLKDVOBBSBSWKK-UHFFFAOYSA-N
XLogP1.07
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-hexoxyphenyl)-5-methyltriazole-4-carboxamide
CID 82199810
ethyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 43836208
1-(4-bromophenyl)-N-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 2150357
1-(4-ethoxyphenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide
CID 16649287
ethyl 4-(4-acetyl-5-methyltriazol-1-yl)benzoate
CID 82201484
ethyl 5-methyl-1-pyridin-4-yltriazole-4-carboxylate
CID 101043740
ethyl 4-acetyl-1-(4-ethoxyphenyl)-5-methylpyrazole-3-carboxylate
CID 1234267
1-(4-ethoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)triazole-4-carboxamide
CID 23610595
5-methyl-N-phenyl-1-(4-propoxyphenyl)triazole-4-carboxamide
CID 17014853
ethyl 5-methyl-1-(4-phenylselanylphenyl)triazole-4-carboxylate
CID 102311928
N-benzyl-5-methyl-1-(4-propoxyphenyl)triazole-4-carboxamide
CID 17015548
5-methyl-1-(4-phenoxyphenyl)triazole-4-carboxylic acid
CID 82200952

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide (CID 27655572) is 1-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide is CCOc1ccc(-n2nnc(C(N)=O)c2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is RLKDVOBBSBSWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-3-18-10-6-4-9(5-7-10)16-8(2)11(12(13)17)14-15-16/h4-7H,3H2,1-2H3,(H2,13,17).
What are the key properties of 1-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide?
1-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 27655572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).