5-(1,2,4-triazol-1-ylmethyl)quinolin-8-ol

C12H10N4O — CID 155551807

IUPAC5-(1,2,4-triazol-1-ylmethyl)quinolin-8-ol
SMILESOc1ccc(Cn2cncn2)c2cccnc12
InChIInChI=1S/C12H10N4O/c17-11-4-3-9(6-16-8-13-7-15-16)10-2-1-5-14-12(10)11/h1-5,7-8,17H,6H2
InChIKeyMDKCZRHHDKLGFU-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.58
Rot. Bonds2

About 5-(1,2,4-triazol-1-ylmethyl)quinolin-8-ol

5-(1,2,4-triazol-1-ylmethyl)quinolin-8-ol (PubChem CID 155551807) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-(1,2,4-triazol-1-ylmethyl)quinolin-8-ol.

Molecular Properties

Compound Name5-(1,2,4-triazol-1-ylmethyl)quinolin-8-ol
PubChem CID155551807
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name5-(1,2,4-triazol-1-ylmethyl)quinolin-8-ol
SMILESOc1ccc(Cn2cncn2)c2cccnc12
InChIInChI=1S/C12H10N4O/c17-11-4-3-9(6-16-8-13-7-15-16)10-2-1-5-14-12(10)11/h1-5,7-8,17H,6H2
InChIKeyMDKCZRHHDKLGFU-UHFFFAOYSA-N
XLogP1.58
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,4-triazol-1-ylmethyl)quinolin-8-ol?
The IUPAC name of 5-(1,2,4-triazol-1-ylmethyl)quinolin-8-ol (CID 155551807) is 5-(1,2,4-triazol-1-ylmethyl)quinolin-8-ol.
What is the SMILES notation for 5-(1,2,4-triazol-1-ylmethyl)quinolin-8-ol?
The canonical SMILES for 5-(1,2,4-triazol-1-ylmethyl)quinolin-8-ol is Oc1ccc(Cn2cncn2)c2cccnc12.
What is the InChIKey of 5-(1,2,4-triazol-1-ylmethyl)quinolin-8-ol?
The InChIKey is MDKCZRHHDKLGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c17-11-4-3-9(6-16-8-13-7-15-16)10-2-1-5-14-12(10)11/h1-5,7-8,17H,6H2.
What are the key properties of 5-(1,2,4-triazol-1-ylmethyl)quinolin-8-ol?
5-(1,2,4-triazol-1-ylmethyl)quinolin-8-ol has a molecular weight of 226.24 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,4-triazol-1-ylmethyl)quinolin-8-ol is sourced from PubChem (CID 155551807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).