[1,2,4]triazolo[4,3-a]quinolin-7-ylmethanamine

C11H10N4 — CID 115021388

IUPAC[1,2,4]triazolo[4,3-a]quinolin-7-ylmethanamine
SMILESNCc1ccc2c(ccc3nncn32)c1
InChIInChI=1S/C11H10N4/c12-6-8-1-3-10-9(5-8)2-4-11-14-13-7-15(10)11/h1-5,7H,6,12H2
InChIKeyJZRUHPBZCYAPAU-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.34
Rot. Bonds1

About [1,2,4]triazolo[4,3-a]quinolin-7-ylmethanamine

[1,2,4]triazolo[4,3-a]quinolin-7-ylmethanamine (PubChem CID 115021388) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is [1,2,4]triazolo[4,3-a]quinolin-7-ylmethanamine.

Molecular Properties

Compound Name[1,2,4]triazolo[4,3-a]quinolin-7-ylmethanamine
PubChem CID115021388
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name[1,2,4]triazolo[4,3-a]quinolin-7-ylmethanamine
SMILESNCc1ccc2c(ccc3nncn32)c1
InChIInChI=1S/C11H10N4/c12-6-8-1-3-10-9(5-8)2-4-11-14-13-7-15(10)11/h1-5,7H,6,12H2
InChIKeyJZRUHPBZCYAPAU-UHFFFAOYSA-N
XLogP1.34
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tetrazolo[1,5-a]quinolin-7-ylmethanamine
CID 57494453
[6-(aminomethyl)naphthalen-2-yl]methanamine
CID 67748708
8-methylsulfonyl-[1,2,4]triazolo[4,3-a]quinoline
CID 174158222
(2-methylimidazo[1,2-a]quinolin-7-yl)methanol
CID 115027886
(1-phenylindol-5-yl)methanamine
CID 171652016
pentacen-2-ylmethanamine
CID 162482734
tetrazolo[1,5-a]quinolin-7-ylmethanol
CID 115021914
4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-8-ylmethanamine
CID 59254405
methane;(1-methylbenzimidazol-5-yl)methanamine
CID 159204423
(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanamine
CID 115027905
1-(aminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol
CID 115028680
(3-cyclopropyl-1-methylindazol-6-yl)methanamine
CID 105453741

Frequently Asked Questions

What is the IUPAC name of [1,2,4]triazolo[4,3-a]quinolin-7-ylmethanamine?
The IUPAC name of [1,2,4]triazolo[4,3-a]quinolin-7-ylmethanamine (CID 115021388) is [1,2,4]triazolo[4,3-a]quinolin-7-ylmethanamine.
What is the SMILES notation for [1,2,4]triazolo[4,3-a]quinolin-7-ylmethanamine?
The canonical SMILES for [1,2,4]triazolo[4,3-a]quinolin-7-ylmethanamine is NCc1ccc2c(ccc3nncn32)c1.
What is the InChIKey of [1,2,4]triazolo[4,3-a]quinolin-7-ylmethanamine?
The InChIKey is JZRUHPBZCYAPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c12-6-8-1-3-10-9(5-8)2-4-11-14-13-7-15(10)11/h1-5,7H,6,12H2.
What are the key properties of [1,2,4]triazolo[4,3-a]quinolin-7-ylmethanamine?
[1,2,4]triazolo[4,3-a]quinolin-7-ylmethanamine has a molecular weight of 198.23 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,4]triazolo[4,3-a]quinolin-7-ylmethanamine is sourced from PubChem (CID 115021388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).