(9-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanol

C12H10FN3O — CID 115038111

IUPAC(9-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanol
SMILESCc1cc2nnc(CO)n2c2c(F)cccc12
InChIInChI=1S/C12H10FN3O/c1-7-5-10-14-15-11(6-17)16(10)12-8(7)3-2-4-9(12)13/h2-5,17H,6H2,1H3
InChIKeyVRUREZZCAWSUKG-UHFFFAOYSA-N
MW231.23 g/mol
LogP1.82
Rot. Bonds1

About (9-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanol

(9-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanol (PubChem CID 115038111) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is (9-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanol.

Molecular Properties

Compound Name(9-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanol
PubChem CID115038111
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC Name(9-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanol
SMILESCc1cc2nnc(CO)n2c2c(F)cccc12
InChIInChI=1S/C12H10FN3O/c1-7-5-10-14-15-11(6-17)16(10)12-8(7)3-2-4-9(12)13/h2-5,17H,6H2,1H3
InChIKeyVRUREZZCAWSUKG-UHFFFAOYSA-N
XLogP1.82
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanol
CID 105433265
3-(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol
CID 115044205
2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-(4-fluorophenyl)ethanone
CID 21000082
[5-(2-fluoro-3-methylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 115397022
2-(9-fluoro-[1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine
CID 115037655
[5-(2-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 113301728
5,9-dimethyl-1-(naphthalen-1-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline
CID 21000063
1-(3,4-dimethylphenyl)-2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
CID 9125401
8-fluoro-4-methylquinoline-2-carbothioamide
CID 82574203
2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(4-fluorophenyl)propanamide
CID 16876585
1-[2-(4-chlorophenoxy)ethylsulfanyl]-5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinoline
CID 21000054
[5-(2-bromo-3-fluorophenyl)-4-tert-butyl-1,2,4-triazol-3-yl]methanol
CID 115396431

Frequently Asked Questions

What is the IUPAC name of (9-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanol?
The IUPAC name of (9-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanol (CID 115038111) is (9-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanol.
What is the SMILES notation for (9-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanol?
The canonical SMILES for (9-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanol is Cc1cc2nnc(CO)n2c2c(F)cccc12.
What is the InChIKey of (9-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanol?
The InChIKey is VRUREZZCAWSUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O/c1-7-5-10-14-15-11(6-17)16(10)12-8(7)3-2-4-9(12)13/h2-5,17H,6H2,1H3.
What are the key properties of (9-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanol?
(9-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanol has a molecular weight of 231.23 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanol is sourced from PubChem (CID 115038111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).