[2-(3,5-dimethyl-1,2,4-triazol-1-yl)quinolin-3-yl]methanol

C14H14N4O — CID 61347881

IUPAC[2-(3,5-dimethyl-1,2,4-triazol-1-yl)quinolin-3-yl]methanol
SMILESCc1nc(C)n(-c2nc3ccccc3cc2CO)n1
InChIInChI=1S/C14H14N4O/c1-9-15-10(2)18(17-9)14-12(8-19)7-11-5-3-4-6-13(11)16-14/h3-7,19H,8H2,1-2H3
InChIKeyJMPZYICFGGIYRY-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.92
Rot. Bonds2

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

[2-(3,5-dimethyl-1,2,4-triazol-1-yl)quinolin-3-yl]methanol (PubChem CID 61347881) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is [2-(3,5-dimethyl-1,2,4-triazol-1-yl)quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-(3,5-dimethyl-1,2,4-triazol-1-yl)quinolin-3-yl]methanol
PubChem CID61347881
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name[2-(3,5-dimethyl-1,2,4-triazol-1-yl)quinolin-3-yl]methanol
SMILESCc1nc(C)n(-c2nc3ccccc3cc2CO)n1
InChIInChI=1S/C14H14N4O/c1-9-15-10(2)18(17-9)14-12(8-19)7-11-5-3-4-6-13(11)16-14/h3-7,19H,8H2,1-2H3
InChIKeyJMPZYICFGGIYRY-UHFFFAOYSA-N
XLogP1.92
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethyl-1,2,4-triazol-1-yl)quinolin-3-yl]methanol?
The IUPAC name of [2-(3,5-dimethyl-1,2,4-triazol-1-yl)quinolin-3-yl]methanol (CID 61347881) is [2-(3,5-dimethyl-1,2,4-triazol-1-yl)quinolin-3-yl]methanol.
What is the SMILES notation for [2-(3,5-dimethyl-1,2,4-triazol-1-yl)quinolin-3-yl]methanol?
The canonical SMILES for [2-(3,5-dimethyl-1,2,4-triazol-1-yl)quinolin-3-yl]methanol is Cc1nc(C)n(-c2nc3ccccc3cc2CO)n1.
What is the InChIKey of [2-(3,5-dimethyl-1,2,4-triazol-1-yl)quinolin-3-yl]methanol?
The InChIKey is JMPZYICFGGIYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-15-10(2)18(17-9)14-12(8-19)7-11-5-3-4-6-13(11)16-14/h3-7,19H,8H2,1-2H3.
What are the key properties of [2-(3,5-dimethyl-1,2,4-triazol-1-yl)quinolin-3-yl]methanol?
[2-(3,5-dimethyl-1,2,4-triazol-1-yl)quinolin-3-yl]methanol has a molecular weight of 254.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethyl-1,2,4-triazol-1-yl)quinolin-3-yl]methanol is sourced from PubChem (CID 61347881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).