2-[(2-methyltetrazol-5-yl)methoxy]naphthalene-1-carbaldehyde

C14H12N4O2 — CID 107043143

IUPAC2-[(2-methyltetrazol-5-yl)methoxy]naphthalene-1-carbaldehyde
SMILESCn1nnc(COc2ccc3ccccc3c2C=O)n1
InChIInChI=1S/C14H12N4O2/c1-18-16-14(15-17-18)9-20-13-7-6-10-4-2-3-5-11(10)12(13)8-19/h2-8H,9H2,1H3
InChIKeyTUAPPYCJKKGDTG-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.75
Rot. Bonds4

About 2-[(2-methyltetrazol-5-yl)methoxy]naphthalene-1-carbaldehyde

2-[(2-methyltetrazol-5-yl)methoxy]naphthalene-1-carbaldehyde (PubChem CID 107043143) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[(2-methyltetrazol-5-yl)methoxy]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-[(2-methyltetrazol-5-yl)methoxy]naphthalene-1-carbaldehyde
PubChem CID107043143
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name2-[(2-methyltetrazol-5-yl)methoxy]naphthalene-1-carbaldehyde
SMILESCn1nnc(COc2ccc3ccccc3c2C=O)n1
InChIInChI=1S/C14H12N4O2/c1-18-16-14(15-17-18)9-20-13-7-6-10-4-2-3-5-11(10)12(13)8-19/h2-8H,9H2,1H3
InChIKeyTUAPPYCJKKGDTG-UHFFFAOYSA-N
XLogP1.75
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-methylpyrazol-4-yl)methoxy]naphthalene-1-carbaldehyde
CID 43417346
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
CID 43417349
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
CID 43388676
2-(2-phenylethoxy)naphthalene-1-carbaldehyde
CID 22687262
2-(1,3-thiazol-4-ylmethoxy)naphthalene-1-carbaldehyde
CID 43505591
5-[(2-fluoro-3-methylphenoxy)methyl]-2-methyltetrazole
CID 107661914
N-[[2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 107041124
2-heptoxynaphthalene-1-carbaldehyde
CID 43505602
5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole
CID 107043113
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
CID 27919131
2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde
CID 10823964
2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde
CID 4737132

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyltetrazol-5-yl)methoxy]naphthalene-1-carbaldehyde?
The IUPAC name of 2-[(2-methyltetrazol-5-yl)methoxy]naphthalene-1-carbaldehyde (CID 107043143) is 2-[(2-methyltetrazol-5-yl)methoxy]naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-[(2-methyltetrazol-5-yl)methoxy]naphthalene-1-carbaldehyde?
The canonical SMILES for 2-[(2-methyltetrazol-5-yl)methoxy]naphthalene-1-carbaldehyde is Cn1nnc(COc2ccc3ccccc3c2C=O)n1.
What is the InChIKey of 2-[(2-methyltetrazol-5-yl)methoxy]naphthalene-1-carbaldehyde?
The InChIKey is TUAPPYCJKKGDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-18-16-14(15-17-18)9-20-13-7-6-10-4-2-3-5-11(10)12(13)8-19/h2-8H,9H2,1H3.
What are the key properties of 2-[(2-methyltetrazol-5-yl)methoxy]naphthalene-1-carbaldehyde?
2-[(2-methyltetrazol-5-yl)methoxy]naphthalene-1-carbaldehyde has a molecular weight of 268.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyltetrazol-5-yl)methoxy]naphthalene-1-carbaldehyde is sourced from PubChem (CID 107043143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).