[2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-3-yl]methanol

C13H12N4OS — CID 10778580

IUPAC[2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-3-yl]methanol
SMILESCc1nc2ccccc2c(Sc2ncn[nH]2)c1CO
InChIInChI=1S/C13H12N4OS/c1-8-10(6-18)12(19-13-14-7-15-17-13)9-4-2-3-5-11(9)16-8/h2-5,7,18H,6H2,1H3,(H,14,15,17)
InChIKeyUTLRDKQRAMXFRN-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.30
Rot. Bonds3

About [2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-3-yl]methanol

[2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-3-yl]methanol (PubChem CID 10778580) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is [2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-3-yl]methanol
PubChem CID10778580
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name[2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-3-yl]methanol
SMILESCc1nc2ccccc2c(Sc2ncn[nH]2)c1CO
InChIInChI=1S/C13H12N4OS/c1-8-10(6-18)12(19-13-14-7-15-17-13)9-4-2-3-5-11(9)16-8/h2-5,7,18H,6H2,1H3,(H,14,15,17)
InChIKeyUTLRDKQRAMXFRN-UHFFFAOYSA-N
XLogP2.30
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-3-yl]methanol?
The IUPAC name of [2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-3-yl]methanol (CID 10778580) is [2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-3-yl]methanol.
What is the SMILES notation for [2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-3-yl]methanol?
The canonical SMILES for [2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-3-yl]methanol is Cc1nc2ccccc2c(Sc2ncn[nH]2)c1CO.
What is the InChIKey of [2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-3-yl]methanol?
The InChIKey is UTLRDKQRAMXFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-8-10(6-18)12(19-13-14-7-15-17-13)9-4-2-3-5-11(9)16-8/h2-5,7,18H,6H2,1H3,(H,14,15,17).
What are the key properties of [2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-3-yl]methanol?
[2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-3-yl]methanol has a molecular weight of 272.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-3-yl]methanol is sourced from PubChem (CID 10778580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).