1-ethyl-N-[3-(tetrazol-1-yl)phenyl]benzotriazole-5-carboxamide

C16H14N8O — CID 8852352

IUPAC1-ethyl-N-[3-(tetrazol-1-yl)phenyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3cccc(-n4cnnn4)c3)ccc21
InChIInChI=1S/C16H14N8O/c1-2-23-15-7-6-11(8-14(15)19-21-23)16(25)18-12-4-3-5-13(9-12)24-10-17-20-22-24/h3-10H,2H2,1H3,(H,18,25)
InChIKeyUTHNUYIXFZOHML-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.68
Rot. Bonds4

About 1-ethyl-N-[3-(tetrazol-1-yl)phenyl]benzotriazole-5-carboxamide

1-ethyl-N-[3-(tetrazol-1-yl)phenyl]benzotriazole-5-carboxamide (PubChem CID 8852352) has the molecular formula C16H14N8O and a molecular weight of 334.34 g/mol. Its IUPAC name is 1-ethyl-N-[3-(tetrazol-1-yl)phenyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[3-(tetrazol-1-yl)phenyl]benzotriazole-5-carboxamide
PubChem CID8852352
Molecular FormulaC16H14N8O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name1-ethyl-N-[3-(tetrazol-1-yl)phenyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3cccc(-n4cnnn4)c3)ccc21
InChIInChI=1S/C16H14N8O/c1-2-23-15-7-6-11(8-14(15)19-21-23)16(25)18-12-4-3-5-13(9-12)24-10-17-20-22-24/h3-10H,2H2,1H3,(H,18,25)
InChIKeyUTHNUYIXFZOHML-UHFFFAOYSA-N
XLogP1.68
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 22110318
1-ethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzotriazole-5-carboxamide
CID 31886468
3-(2-ethyl-1,2,4-triazol-3-yl)-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 169414026
N-(3-cyclopentyloxyphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 30806337
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 43702822
4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 31504000
N-(3-chlorophenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051706
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708
N-(4-amino-3,5-dichlorophenyl)-1-ethylbenzotriazole-5-carboxamide
CID 47014537
1-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzotriazole-5-carboxamide
CID 26894071
1-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazole-5-carboxamide
CID 135877247

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[3-(tetrazol-1-yl)phenyl]benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[3-(tetrazol-1-yl)phenyl]benzotriazole-5-carboxamide (CID 8852352) is 1-ethyl-N-[3-(tetrazol-1-yl)phenyl]benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[3-(tetrazol-1-yl)phenyl]benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[3-(tetrazol-1-yl)phenyl]benzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)Nc3cccc(-n4cnnn4)c3)ccc21.
What is the InChIKey of 1-ethyl-N-[3-(tetrazol-1-yl)phenyl]benzotriazole-5-carboxamide?
The InChIKey is UTHNUYIXFZOHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8O/c1-2-23-15-7-6-11(8-14(15)19-21-23)16(25)18-12-4-3-5-13(9-12)24-10-17-20-22-24/h3-10H,2H2,1H3,(H,18,25).
What are the key properties of 1-ethyl-N-[3-(tetrazol-1-yl)phenyl]benzotriazole-5-carboxamide?
1-ethyl-N-[3-(tetrazol-1-yl)phenyl]benzotriazole-5-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[3-(tetrazol-1-yl)phenyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 8852352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).