3-(2-ethyl-1,2,4-triazol-3-yl)-N-[3-(tetrazol-1-yl)phenyl]benzamide

C18H16N8O — CID 169414026

IUPAC3-(2-ethyl-1,2,4-triazol-3-yl)-N-[3-(tetrazol-1-yl)phenyl]benzamide
SMILESCCn1ncnc1-c1cccc(C(=O)Nc2cccc(-n3cnnn3)c2)c1
InChIInChI=1S/C18H16N8O/c1-2-25-17(19-11-21-25)13-5-3-6-14(9-13)18(27)22-15-7-4-8-16(10-15)26-12-20-23-24-26/h3-12H,2H2,1H3,(H,22,27)
InChIKeyJGCVHDXVWXAOOH-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.19
Rot. Bonds5

About 3-(2-ethyl-1,2,4-triazol-3-yl)-N-[3-(tetrazol-1-yl)phenyl]benzamide

3-(2-ethyl-1,2,4-triazol-3-yl)-N-[3-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 169414026) has the molecular formula C18H16N8O and a molecular weight of 360.38 g/mol. Its IUPAC name is 3-(2-ethyl-1,2,4-triazol-3-yl)-N-[3-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(2-ethyl-1,2,4-triazol-3-yl)-N-[3-(tetrazol-1-yl)phenyl]benzamide
PubChem CID169414026
Molecular FormulaC18H16N8O
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC Name3-(2-ethyl-1,2,4-triazol-3-yl)-N-[3-(tetrazol-1-yl)phenyl]benzamide
SMILESCCn1ncnc1-c1cccc(C(=O)Nc2cccc(-n3cnnn3)c2)c1
InChIInChI=1S/C18H16N8O/c1-2-25-17(19-11-21-25)13-5-3-6-14(9-13)18(27)22-15-7-4-8-16(10-15)26-12-20-23-24-26/h3-12H,2H2,1H3,(H,22,27)
InChIKeyJGCVHDXVWXAOOH-UHFFFAOYSA-N
XLogP2.19
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-ethyl-N-[3-(tetrazol-1-yl)phenyl]benzotriazole-5-carboxamide
CID 8852352
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide
CID 55700294
4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 31504000
2-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 32696269
N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide
CID 22110521
N-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
CID 122302044
4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 43702822
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708
N-(4-bromo-3-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26363553
N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(tetrazol-1-yl)benzamide
CID 55982018
4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiadiazole-5-carboxamide
CID 146021769

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-1,2,4-triazol-3-yl)-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 3-(2-ethyl-1,2,4-triazol-3-yl)-N-[3-(tetrazol-1-yl)phenyl]benzamide (CID 169414026) is 3-(2-ethyl-1,2,4-triazol-3-yl)-N-[3-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-(2-ethyl-1,2,4-triazol-3-yl)-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3-(2-ethyl-1,2,4-triazol-3-yl)-N-[3-(tetrazol-1-yl)phenyl]benzamide is CCn1ncnc1-c1cccc(C(=O)Nc2cccc(-n3cnnn3)c2)c1.
What is the InChIKey of 3-(2-ethyl-1,2,4-triazol-3-yl)-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is JGCVHDXVWXAOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O/c1-2-25-17(19-11-21-25)13-5-3-6-14(9-13)18(27)22-15-7-4-8-16(10-15)26-12-20-23-24-26/h3-12H,2H2,1H3,(H,22,27).
What are the key properties of 3-(2-ethyl-1,2,4-triazol-3-yl)-N-[3-(tetrazol-1-yl)phenyl]benzamide?
3-(2-ethyl-1,2,4-triazol-3-yl)-N-[3-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 360.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-1,2,4-triazol-3-yl)-N-[3-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 169414026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).