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

C11H11N5O — CID 138021562

IUPACN-(1-methyltetrazol-5-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCn1nnnc1NC(=O)C1Cc2ccccc21
InChIInChI=1S/C11H11N5O/c1-16-11(13-14-15-16)12-10(17)9-6-7-4-2-3-5-8(7)9/h2-5,9H,6H2,1H3,(H,12,13,15,17)
InChIKeySSJSEVZHZOFEGQ-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.49
Rot. Bonds2

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

N-(1-methyltetrazol-5-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 138021562) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is N-(1-methyltetrazol-5-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-(1-methyltetrazol-5-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID138021562
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC NameN-(1-methyltetrazol-5-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCn1nnnc1NC(=O)C1Cc2ccccc21
InChIInChI=1S/C11H11N5O/c1-16-11(13-14-15-16)12-10(17)9-6-7-4-2-3-5-8(7)9/h2-5,9H,6H2,1H3,(H,12,13,15,17)
InChIKeySSJSEVZHZOFEGQ-UHFFFAOYSA-N
XLogP0.49
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyltetrazol-5-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-(1-methyltetrazol-5-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 138021562) is N-(1-methyltetrazol-5-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-(1-methyltetrazol-5-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-(1-methyltetrazol-5-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is Cn1nnnc1NC(=O)C1Cc2ccccc21.
What is the InChIKey of N-(1-methyltetrazol-5-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is SSJSEVZHZOFEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-16-11(13-14-15-16)12-10(17)9-6-7-4-2-3-5-8(7)9/h2-5,9H,6H2,1H3,(H,12,13,15,17).
What are the key properties of N-(1-methyltetrazol-5-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-(1-methyltetrazol-5-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyltetrazol-5-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 138021562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).