3-(9-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-amine

C14H16N4 — CID 115043771

IUPAC3-(9-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-amine
SMILESCc1cccc2ccc3nnc(CCCN)n3c12
InChIInChI=1S/C14H16N4/c1-10-4-2-5-11-7-8-13-17-16-12(6-3-9-15)18(13)14(10)11/h2,4-5,7-8H,3,6,9,15H2,1H3
InChIKeyZBZNEODRIYYJPJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.08
Rot. Bonds3

About 3-(9-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-amine

3-(9-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-amine (PubChem CID 115043771) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-(9-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(9-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-amine
PubChem CID115043771
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name3-(9-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-amine
SMILESCc1cccc2ccc3nnc(CCCN)n3c12
InChIInChI=1S/C14H16N4/c1-10-4-2-5-11-7-8-13-17-16-12(6-3-9-15)18(13)14(10)11/h2,4-5,7-8H,3,6,9,15H2,1H3
InChIKeyZBZNEODRIYYJPJ-UHFFFAOYSA-N
XLogP2.08
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(9-fluoro-[1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine
CID 115037655
1-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]quinolin-9-ol
CID 115036643
3-(5-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 105447953
2-([1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine
CID 82167050
3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine
CID 79817683
3-(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol
CID 115044199
2-(9-methylimidazo[1,2-a]quinolin-1-yl)acetic acid
CID 115043576
5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)pentan-1-amine
CID 62043687
(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanamine
CID 115027905
3-(8-methylisoquinolin-1-yl)propan-1-amine
CID 82576542
5-methyl-3-propyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82061317
(9-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanol
CID 115038111

Frequently Asked Questions

What is the IUPAC name of 3-(9-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-amine?
The IUPAC name of 3-(9-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-amine (CID 115043771) is 3-(9-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(9-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-amine?
The canonical SMILES for 3-(9-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-amine is Cc1cccc2ccc3nnc(CCCN)n3c12.
What is the InChIKey of 3-(9-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-amine?
The InChIKey is ZBZNEODRIYYJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-10-4-2-5-11-7-8-13-17-16-12(6-3-9-15)18(13)14(10)11/h2,4-5,7-8H,3,6,9,15H2,1H3.
What are the key properties of 3-(9-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-amine?
3-(9-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-amine has a molecular weight of 240.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-amine is sourced from PubChem (CID 115043771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).