N-[[2-(cyclobutylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide

C15H19N5O — CID 71926098

IUPACN-[[2-(cyclobutylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide
SMILESCN(Cc1nnn(CC2CCC2)n1)C(=O)c1ccccc1
InChIInChI=1S/C15H19N5O/c1-19(15(21)13-8-3-2-4-9-13)11-14-16-18-20(17-14)10-12-6-5-7-12/h2-4,8-9,12H,5-7,10-11H2,1H3
InChIKeyQIQYLGDJNXHRFE-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.75
Rot. Bonds5

About N-[[2-(cyclobutylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide

N-[[2-(cyclobutylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide (PubChem CID 71926098) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[[2-(cyclobutylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[[2-(cyclobutylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide
PubChem CID71926098
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-[[2-(cyclobutylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide
SMILESCN(Cc1nnn(CC2CCC2)n1)C(=O)c1ccccc1
InChIInChI=1S/C15H19N5O/c1-19(15(21)13-8-3-2-4-9-13)11-14-16-18-20(17-14)10-12-6-5-7-12/h2-4,8-9,12H,5-7,10-11H2,1H3
InChIKeyQIQYLGDJNXHRFE-UHFFFAOYSA-N
XLogP1.75
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclobutylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide?
The IUPAC name of N-[[2-(cyclobutylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide (CID 71926098) is N-[[2-(cyclobutylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for N-[[2-(cyclobutylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide?
The canonical SMILES for N-[[2-(cyclobutylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide is CN(Cc1nnn(CC2CCC2)n1)C(=O)c1ccccc1.
What is the InChIKey of N-[[2-(cyclobutylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide?
The InChIKey is QIQYLGDJNXHRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-19(15(21)13-8-3-2-4-9-13)11-14-16-18-20(17-14)10-12-6-5-7-12/h2-4,8-9,12H,5-7,10-11H2,1H3.
What are the key properties of N-[[2-(cyclobutylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide?
N-[[2-(cyclobutylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide has a molecular weight of 285.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclobutylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 71926098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).