1-(aminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol

C11H10N4O — CID 115028680

IUPAC1-(aminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol
SMILESNCc1nnc2ccc3cc(O)ccc3n12
InChIInChI=1S/C11H10N4O/c12-6-11-14-13-10-4-1-7-5-8(16)2-3-9(7)15(10)11/h1-5,16H,6,12H2
InChIKeyFLEJRZBDQJYMPS-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.05
Rot. Bonds1

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

1-(aminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol (PubChem CID 115028680) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 1-(aminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol.

Molecular Properties

Compound Name1-(aminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol
PubChem CID115028680
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name1-(aminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol
SMILESNCc1nnc2ccc3cc(O)ccc3n12
InChIInChI=1S/C11H10N4O/c12-6-11-14-13-10-4-1-7-5-8(16)2-3-9(7)15(10)11/h1-5,16H,6,12H2
InChIKeyFLEJRZBDQJYMPS-UHFFFAOYSA-N
XLogP1.05
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol
CID 115028975
(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanamine
CID 115027905
3-(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol
CID 115044199
2-([1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine
CID 82167050
1-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]quinolin-9-ol
CID 115036643
naphthalene-2,6-diol;phenylmethanamine
CID 11482538
naphthalene-2,6-diol;phenylmethanamine
CID 139184911
tetrazolo[1,5-a]quinolin-7-ylmethanamine
CID 57494453
6-hydroxyindazole-1-carbothioamide
CID 136967127
(4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methanamine
CID 82167293
sodium;hydride;naphthalene-2,6-diol
CID 174639769
3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139567

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol?
The IUPAC name of 1-(aminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol (CID 115028680) is 1-(aminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol.
What is the SMILES notation for 1-(aminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol?
The canonical SMILES for 1-(aminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol is NCc1nnc2ccc3cc(O)ccc3n12.
What is the InChIKey of 1-(aminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol?
The InChIKey is FLEJRZBDQJYMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c12-6-11-14-13-10-4-1-7-5-8(16)2-3-9(7)15(10)11/h1-5,16H,6,12H2.
What are the key properties of 1-(aminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol?
1-(aminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol has a molecular weight of 214.23 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol is sourced from PubChem (CID 115028680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).