2-(benzotriazol-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide

C15H12N8O — CID 857306

IUPAC2-(benzotriazol-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(Cn1nnc2ccccc21)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H12N8O/c24-15(9-22-14-4-2-1-3-13(14)18-20-22)17-11-5-7-12(8-6-11)23-10-16-19-21-23/h1-8,10H,9H2,(H,17,24)
InChIKeyNFKOZLFKBOCMIZ-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.05
Rot. Bonds4

About 2-(benzotriazol-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide

2-(benzotriazol-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 857306) has the molecular formula C15H12N8O and a molecular weight of 320.32 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID857306
Molecular FormulaC15H12N8O
Molecular Weight320.32 g/mol
Exact Mass320.11
IUPAC Name2-(benzotriazol-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(Cn1nnc2ccccc21)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H12N8O/c24-15(9-22-14-4-2-1-3-13(14)18-20-22)17-11-5-7-12(8-6-11)23-10-16-19-21-23/h1-8,10H,9H2,(H,17,24)
InChIKeyNFKOZLFKBOCMIZ-UHFFFAOYSA-N
XLogP1.05
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid
CID 855546
N-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide
CID 17421387
methyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate
CID 645249
3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 43167870
N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide
CID 863030
2-(2-chlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 8006243
1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-phenylthiourea
CID 848903
2-(benzotriazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 162786952
1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(4-chlorophenyl)thiourea
CID 990282
2-(benzotriazol-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141698
5-bromo-N-[4-(tetrazol-1-yl)phenyl]pentanamide
CID 114014593
benzyl N-[4-(tetrazol-1-yl)phenyl]carbamate
CID 122584873

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide (CID 857306) is 2-(benzotriazol-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide is O=C(Cn1nnc2ccccc21)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is NFKOZLFKBOCMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N8O/c24-15(9-22-14-4-2-1-3-13(14)18-20-22)17-11-5-7-12(8-6-11)23-10-16-19-21-23/h1-8,10H,9H2,(H,17,24).
What are the key properties of 2-(benzotriazol-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
2-(benzotriazol-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 320.32 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 857306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).