1-ethyl-N-(2,4,6-trimethylphenyl)benzotriazole-5-carboxamide

C18H20N4O — CID 26085870

IUPAC1-ethyl-N-(2,4,6-trimethylphenyl)benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc21
InChIInChI=1S/C18H20N4O/c1-5-22-16-7-6-14(10-15(16)20-21-22)18(23)19-17-12(3)8-11(2)9-13(17)4/h6-10H,5H2,1-4H3,(H,19,23)
InChIKeyHLINRDZTNXVZMZ-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.63
Rot. Bonds3

About 1-ethyl-N-(2,4,6-trimethylphenyl)benzotriazole-5-carboxamide

1-ethyl-N-(2,4,6-trimethylphenyl)benzotriazole-5-carboxamide (PubChem CID 26085870) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-ethyl-N-(2,4,6-trimethylphenyl)benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2,4,6-trimethylphenyl)benzotriazole-5-carboxamide
PubChem CID26085870
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name1-ethyl-N-(2,4,6-trimethylphenyl)benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc21
InChIInChI=1S/C18H20N4O/c1-5-22-16-7-6-14(10-15(16)20-21-22)18(23)19-17-12(3)8-11(2)9-13(17)4/h6-10H,5H2,1-4H3,(H,19,23)
InChIKeyHLINRDZTNXVZMZ-UHFFFAOYSA-N
XLogP3.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(4-methyl-1H-pyrazol-5-yl)benzotriazole-5-carboxamide
CID 115630210
N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide
CID 48585600
1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide
CID 26709742
1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide
CID 8839386
N-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 22110318
1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzotriazole-5-carboxamide
CID 31289238
N-(4-amino-3,5-dichlorophenyl)-1-ethylbenzotriazole-5-carboxamide
CID 47014537
N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 51208716
N-butyl-1-ethylbenzotriazole-5-carboxamide
CID 18106233
1-ethyl-N-prop-2-ynylbenzotriazole-5-carboxamide
CID 30600317
1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide
CID 26727322
1-ethyl-N-hexylbenzotriazole-5-carboxamide
CID 51339254

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2,4,6-trimethylphenyl)benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-(2,4,6-trimethylphenyl)benzotriazole-5-carboxamide (CID 26085870) is 1-ethyl-N-(2,4,6-trimethylphenyl)benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2,4,6-trimethylphenyl)benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-(2,4,6-trimethylphenyl)benzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc21.
What is the InChIKey of 1-ethyl-N-(2,4,6-trimethylphenyl)benzotriazole-5-carboxamide?
The InChIKey is HLINRDZTNXVZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-5-22-16-7-6-14(10-15(16)20-21-22)18(23)19-17-12(3)8-11(2)9-13(17)4/h6-10H,5H2,1-4H3,(H,19,23).
What are the key properties of 1-ethyl-N-(2,4,6-trimethylphenyl)benzotriazole-5-carboxamide?
1-ethyl-N-(2,4,6-trimethylphenyl)benzotriazole-5-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2,4,6-trimethylphenyl)benzotriazole-5-carboxamide is sourced from PubChem (CID 26085870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).