[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanol

C13H12N4OS — CID 63814305

IUPAC[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanol
SMILESCn1cnnc1Sc1nc2ccccc2cc1CO
InChIInChI=1S/C13H12N4OS/c1-17-8-14-16-13(17)19-12-10(7-18)6-9-4-2-3-5-11(9)15-12/h2-6,8,18H,7H2,1H3
InChIKeyLJRLRFHPVOEGSE-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.01
Rot. Bonds3

About [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanol

[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanol (PubChem CID 63814305) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanol
PubChem CID63814305
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanol
SMILESCn1cnnc1Sc1nc2ccccc2cc1CO
InChIInChI=1S/C13H12N4OS/c1-17-8-14-16-13(17)19-12-10(7-18)6-9-4-2-3-5-11(9)15-12/h2-6,8,18H,7H2,1H3
InChIKeyLJRLRFHPVOEGSE-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanol?
The IUPAC name of [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanol (CID 63814305) is [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanol.
What is the SMILES notation for [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanol?
The canonical SMILES for [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanol is Cn1cnnc1Sc1nc2ccccc2cc1CO.
What is the InChIKey of [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanol?
The InChIKey is LJRLRFHPVOEGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-17-8-14-16-13(17)19-12-10(7-18)6-9-4-2-3-5-11(9)15-12/h2-6,8,18H,7H2,1H3.
What are the key properties of [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanol?
[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanol has a molecular weight of 272.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanol is sourced from PubChem (CID 63814305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).