3-(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol

C14H15N3O — CID 115044199

IUPAC3-(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol
SMILESCc1ccc2c(ccc3nnc(CCCO)n32)c1
InChIInChI=1S/C14H15N3O/c1-10-4-6-12-11(9-10)5-7-14-16-15-13(17(12)14)3-2-8-18/h4-7,9,18H,2-3,8H2,1H3
InChIKeyPEMICCODHMIRLT-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.12
Rot. Bonds3

About 3-(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol

3-(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol (PubChem CID 115044199) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol
PubChem CID115044199
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol
SMILESCc1ccc2c(ccc3nnc(CCCO)n32)c1
InChIInChI=1S/C14H15N3O/c1-10-4-6-12-11(9-10)5-7-14-16-15-13(17(12)14)3-2-8-18/h4-7,9,18H,2-3,8H2,1H3
InChIKeyPEMICCODHMIRLT-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

(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanamine
CID 115027905
3-(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol
CID 115044205
1-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol
CID 115028975
1-(aminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol
CID 115028680
3-(9-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-amine
CID 115043771
2-([1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine
CID 82167050
2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 105436826
3-[1-(3-methylphenyl)benzimidazol-2-yl]propan-1-ol
CID 50950007
3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-1-ol
CID 117128702
3-[1-[(3-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]propan-1-ol
CID 82333195
5-methyl-3-propyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82061317
3-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol
CID 117143189

Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol?
The IUPAC name of 3-(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol (CID 115044199) is 3-(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol.
What is the SMILES notation for 3-(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol?
The canonical SMILES for 3-(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol is Cc1ccc2c(ccc3nnc(CCCO)n32)c1.
What is the InChIKey of 3-(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol?
The InChIKey is PEMICCODHMIRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-4-6-12-11(9-10)5-7-14-16-15-13(17(12)14)3-2-8-18/h4-7,9,18H,2-3,8H2,1H3.
What are the key properties of 3-(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol?
3-(7-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-(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol is sourced from PubChem (CID 115044199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).