5-(1-ethyltetrazol-5-yl)-2-methoxybenzaldehyde

C11H12N4O2 — CID 22106604

IUPAC5-(1-ethyltetrazol-5-yl)-2-methoxybenzaldehyde
SMILESCCn1nnnc1-c1ccc(OC)c(C=O)c1
InChIInChI=1S/C11H12N4O2/c1-3-15-11(12-13-14-15)8-4-5-10(17-2)9(6-8)7-16/h4-7H,3H2,1-2H3
InChIKeyXSJYQLAPUDCMNM-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.18
Rot. Bonds4

About 5-(1-ethyltetrazol-5-yl)-2-methoxybenzaldehyde

5-(1-ethyltetrazol-5-yl)-2-methoxybenzaldehyde (PubChem CID 22106604) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-(1-ethyltetrazol-5-yl)-2-methoxybenzaldehyde.

Molecular Properties

Compound Name5-(1-ethyltetrazol-5-yl)-2-methoxybenzaldehyde
PubChem CID22106604
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name5-(1-ethyltetrazol-5-yl)-2-methoxybenzaldehyde
SMILESCCn1nnnc1-c1ccc(OC)c(C=O)c1
InChIInChI=1S/C11H12N4O2/c1-3-15-11(12-13-14-15)8-4-5-10(17-2)9(6-8)7-16/h4-7H,3H2,1-2H3
InChIKeyXSJYQLAPUDCMNM-UHFFFAOYSA-N
XLogP1.18
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyltetrazol-5-yl)-2-methoxybenzaldehyde?
The IUPAC name of 5-(1-ethyltetrazol-5-yl)-2-methoxybenzaldehyde (CID 22106604) is 5-(1-ethyltetrazol-5-yl)-2-methoxybenzaldehyde.
What is the SMILES notation for 5-(1-ethyltetrazol-5-yl)-2-methoxybenzaldehyde?
The canonical SMILES for 5-(1-ethyltetrazol-5-yl)-2-methoxybenzaldehyde is CCn1nnnc1-c1ccc(OC)c(C=O)c1.
What is the InChIKey of 5-(1-ethyltetrazol-5-yl)-2-methoxybenzaldehyde?
The InChIKey is XSJYQLAPUDCMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-3-15-11(12-13-14-15)8-4-5-10(17-2)9(6-8)7-16/h4-7H,3H2,1-2H3.
What are the key properties of 5-(1-ethyltetrazol-5-yl)-2-methoxybenzaldehyde?
5-(1-ethyltetrazol-5-yl)-2-methoxybenzaldehyde has a molecular weight of 232.24 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyltetrazol-5-yl)-2-methoxybenzaldehyde is sourced from PubChem (CID 22106604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).