4-[(2-methyltetrazol-5-yl)methylsulfanyl]naphthalen-1-ol

C13H12N4OS — CID 107052053

IUPAC4-[(2-methyltetrazol-5-yl)methylsulfanyl]naphthalen-1-ol
SMILESCn1nnc(CSc2ccc(O)c3ccccc23)n1
InChIInChI=1S/C13H12N4OS/c1-17-15-13(14-16-17)8-19-12-7-6-11(18)9-4-2-3-5-10(9)12/h2-7,18H,8H2,1H3
InChIKeyNMOREWZAWMDFFT-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.36
Rot. Bonds3

About 4-[(2-methyltetrazol-5-yl)methylsulfanyl]naphthalen-1-ol

4-[(2-methyltetrazol-5-yl)methylsulfanyl]naphthalen-1-ol (PubChem CID 107052053) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-[(2-methyltetrazol-5-yl)methylsulfanyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[(2-methyltetrazol-5-yl)methylsulfanyl]naphthalen-1-ol
PubChem CID107052053
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name4-[(2-methyltetrazol-5-yl)methylsulfanyl]naphthalen-1-ol
SMILESCn1nnc(CSc2ccc(O)c3ccccc23)n1
InChIInChI=1S/C13H12N4OS/c1-17-15-13(14-16-17)8-19-12-7-6-11(18)9-4-2-3-5-10(9)12/h2-7,18H,8H2,1H3
InChIKeyNMOREWZAWMDFFT-UHFFFAOYSA-N
XLogP2.36
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyltetrazol-5-yl)methylsulfanyl]naphthalen-1-ol?
The IUPAC name of 4-[(2-methyltetrazol-5-yl)methylsulfanyl]naphthalen-1-ol (CID 107052053) is 4-[(2-methyltetrazol-5-yl)methylsulfanyl]naphthalen-1-ol.
What is the SMILES notation for 4-[(2-methyltetrazol-5-yl)methylsulfanyl]naphthalen-1-ol?
The canonical SMILES for 4-[(2-methyltetrazol-5-yl)methylsulfanyl]naphthalen-1-ol is Cn1nnc(CSc2ccc(O)c3ccccc23)n1.
What is the InChIKey of 4-[(2-methyltetrazol-5-yl)methylsulfanyl]naphthalen-1-ol?
The InChIKey is NMOREWZAWMDFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-17-15-13(14-16-17)8-19-12-7-6-11(18)9-4-2-3-5-10(9)12/h2-7,18H,8H2,1H3.
What are the key properties of 4-[(2-methyltetrazol-5-yl)methylsulfanyl]naphthalen-1-ol?
4-[(2-methyltetrazol-5-yl)methylsulfanyl]naphthalen-1-ol has a molecular weight of 272.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyltetrazol-5-yl)methylsulfanyl]naphthalen-1-ol is sourced from PubChem (CID 107052053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).