1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide

C12H14N4O2 — CID 82200726

IUPAC1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(C)cc1-n1nnc(C(N)=O)c1C
InChIInChI=1S/C12H14N4O2/c1-7-4-5-10(18-3)9(6-7)16-8(2)11(12(13)17)14-15-16/h4-6H,1-3H3,(H2,13,17)
InChIKeyQGARYKAYFJDASF-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.99
Rot. Bonds3

About 1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide

1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 82200726) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
PubChem CID82200726
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(C)cc1-n1nnc(C(N)=O)c1C
InChIInChI=1S/C12H14N4O2/c1-7-4-5-10(18-3)9(6-7)16-8(2)11(12(13)17)14-15-16/h4-6H,1-3H3,(H2,13,17)
InChIKeyQGARYKAYFJDASF-UHFFFAOYSA-N
XLogP0.99
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 82198687
1-(4-chloro-2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 82197593
N-(5-chloro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 7184617
N-(2-ethoxyphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 22516243
N-(3-tert-butyl-4-hydroxyphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 169248124
1-(2-methoxy-5-methylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole
CID 7245378
1-(4-chloro-2,5-dimethoxyphenyl)-5-methyltriazole-4-carboxylic acid
CID 82200947
1-(5-chloro-2,4-dimethoxyphenyl)-5-methyltriazole-4-carboxylic acid
CID 53366322
3-acetyl-1-(2-methoxy-5-methylphenyl)-6-methylpyridazin-4-one
CID 82420636
1-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-3,3-dimethylbutan-2-one
CID 2595136
[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
CID 62738146
3-(2-methoxy-5-methylphenyl)-5-pyridin-4-yltriazol-4-amine
CID 82370825

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide (CID 82200726) is 1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide is COc1ccc(C)cc1-n1nnc(C(N)=O)c1C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is QGARYKAYFJDASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7-4-5-10(18-3)9(6-7)16-8(2)11(12(13)17)14-15-16/h4-6H,1-3H3,(H2,13,17).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide?
1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 82200726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).