[2-(1-methyltetrazol-5-yl)sulfanylquinolin-3-yl]methanol

C12H11N5OS — CID 63812910

IUPAC[2-(1-methyltetrazol-5-yl)sulfanylquinolin-3-yl]methanol
SMILESCn1nnnc1Sc1nc2ccccc2cc1CO
InChIInChI=1S/C12H11N5OS/c1-17-12(14-15-16-17)19-11-9(7-18)6-8-4-2-3-5-10(8)13-11/h2-6,18H,7H2,1H3
InChIKeyLNUYPALDKJMPED-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.40
Rot. Bonds3

About [2-(1-methyltetrazol-5-yl)sulfanylquinolin-3-yl]methanol

[2-(1-methyltetrazol-5-yl)sulfanylquinolin-3-yl]methanol (PubChem CID 63812910) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is [2-(1-methyltetrazol-5-yl)sulfanylquinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-(1-methyltetrazol-5-yl)sulfanylquinolin-3-yl]methanol
PubChem CID63812910
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name[2-(1-methyltetrazol-5-yl)sulfanylquinolin-3-yl]methanol
SMILESCn1nnnc1Sc1nc2ccccc2cc1CO
InChIInChI=1S/C12H11N5OS/c1-17-12(14-15-16-17)19-11-9(7-18)6-8-4-2-3-5-10(8)13-11/h2-6,18H,7H2,1H3
InChIKeyLNUYPALDKJMPED-UHFFFAOYSA-N
XLogP1.40
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methyltetrazol-5-yl)sulfanylquinolin-3-yl]methanol?
The IUPAC name of [2-(1-methyltetrazol-5-yl)sulfanylquinolin-3-yl]methanol (CID 63812910) is [2-(1-methyltetrazol-5-yl)sulfanylquinolin-3-yl]methanol.
What is the SMILES notation for [2-(1-methyltetrazol-5-yl)sulfanylquinolin-3-yl]methanol?
The canonical SMILES for [2-(1-methyltetrazol-5-yl)sulfanylquinolin-3-yl]methanol is Cn1nnnc1Sc1nc2ccccc2cc1CO.
What is the InChIKey of [2-(1-methyltetrazol-5-yl)sulfanylquinolin-3-yl]methanol?
The InChIKey is LNUYPALDKJMPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-17-12(14-15-16-17)19-11-9(7-18)6-8-4-2-3-5-10(8)13-11/h2-6,18H,7H2,1H3.
What are the key properties of [2-(1-methyltetrazol-5-yl)sulfanylquinolin-3-yl]methanol?
[2-(1-methyltetrazol-5-yl)sulfanylquinolin-3-yl]methanol has a molecular weight of 273.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methyltetrazol-5-yl)sulfanylquinolin-3-yl]methanol is sourced from PubChem (CID 63812910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).