3-(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol

C14H15N3O — CID 115044205

IUPAC3-(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol
SMILESCc1cc2nnc(CCCO)n2c2ccccc12
InChIInChI=1S/C14H15N3O/c1-10-9-14-16-15-13(7-4-8-18)17(14)12-6-3-2-5-11(10)12/h2-3,5-6,9,18H,4,7-8H2,1H3
InChIKeyULVUVDSNTDTHKT-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.12
Rot. Bonds3

About 3-(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol

3-(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol (PubChem CID 115044205) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol
PubChem CID115044205
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol
SMILESCc1cc2nnc(CCCO)n2c2ccccc12
InChIInChI=1S/C14H15N3O/c1-10-9-14-16-15-13(7-4-8-18)17(14)12-6-3-2-5-11(10)12/h2-3,5-6,9,18H,4,7-8H2,1H3
InChIKeyULVUVDSNTDTHKT-UHFFFAOYSA-N
XLogP2.12
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoline
CID 14666362
3-(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol
CID 115044199
1-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline
CID 2027650
2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-phenylethanol
CID 110879321
(9-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanol
CID 115038111
2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(3-phenylpropyl)acetamide
CID 2613161
N-ethyl-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 2612995
3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one
CID 2613181
2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-phenylethyl)propanamide
CID 46303826
3-methyl-5-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2-oxazole
CID 18099710
N-ethyl-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide
CID 18199075
N-[(2-methylphenyl)methyl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 18201698

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol?
The IUPAC name of 3-(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol (CID 115044205) is 3-(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol.
What is the SMILES notation for 3-(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol?
The canonical SMILES for 3-(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol is Cc1cc2nnc(CCCO)n2c2ccccc12.
What is the InChIKey of 3-(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol?
The InChIKey is ULVUVDSNTDTHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-9-14-16-15-13(7-4-8-18)17(14)12-6-3-2-5-11(10)12/h2-3,5-6,9,18H,4,7-8H2,1H3.
What are the key properties of 3-(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol?
3-(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol has a molecular weight of 241.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol is sourced from PubChem (CID 115044205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).