N-[1-(2-methoxyethyl)tetrazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C13H15N5O2 — CID 167809358

IUPACN-[1-(2-methoxyethyl)tetrazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCOCCn1nnnc1NC(=O)C1Cc2ccccc21
InChIInChI=1S/C13H15N5O2/c1-20-7-6-18-13(15-16-17-18)14-12(19)11-8-9-4-2-3-5-10(9)11/h2-5,11H,6-8H2,1H3,(H,14,15,17,19)
InChIKeyBHCKIHRYLQKZFP-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.60
Rot. Bonds5

About N-[1-(2-methoxyethyl)tetrazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-[1-(2-methoxyethyl)tetrazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 167809358) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)tetrazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)tetrazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID167809358
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-[1-(2-methoxyethyl)tetrazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCOCCn1nnnc1NC(=O)C1Cc2ccccc21
InChIInChI=1S/C13H15N5O2/c1-20-7-6-18-13(15-16-17-18)14-12(19)11-8-9-4-2-3-5-10(9)11/h2-5,11H,6-8H2,1H3,(H,14,15,17,19)
InChIKeyBHCKIHRYLQKZFP-UHFFFAOYSA-N
XLogP0.60
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(2-methoxyethyl)tetrazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide with MolForge

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Related Compounds

2-phenyl-N-(1-propyl-1H-tetrazol-5-yl)acetamide
CID 891863
N-[1-(2-methoxyethyl)tetrazol-5-yl]-2-(trifluoromethyl)benzamide
CID 138051378
2,2-diphenyl-N-(1-propyl(1,2,3,4-tetraazol-5-yl))acetamide
CID 960201
N-(3-methoxy-1H-1,2,4-triazol-5-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 83102490
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 104817854
N-[1-(2-methoxyethyl)tetrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 136570665
N-(1-methyltetrazol-5-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 138021562
N-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 145879180
2-(4-cyclobutylphenyl)-N-(1-methyltetrazol-5-yl)acetamide
CID 154845056

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)tetrazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)tetrazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 167809358) is N-[1-(2-methoxyethyl)tetrazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)tetrazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)tetrazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is COCCn1nnnc1NC(=O)C1Cc2ccccc21.
What is the InChIKey of N-[1-(2-methoxyethyl)tetrazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is BHCKIHRYLQKZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-20-7-6-18-13(15-16-17-18)14-12(19)11-8-9-4-2-3-5-10(9)11/h2-5,11H,6-8H2,1H3,(H,14,15,17,19).
What are the key properties of N-[1-(2-methoxyethyl)tetrazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-[1-(2-methoxyethyl)tetrazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)tetrazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 167809358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).