3-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline

C11H12N4 — CID 106903175

IUPAC3-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CC(c1ncn[nH]1)CN2
InChIInChI=1S/C11H12N4/c1-2-4-10-8(3-1)5-9(6-12-10)11-13-7-14-15-11/h1-4,7,9,12H,5-6H2,(H,13,14,15)
InChIKeyFIRUIVGXSCAVCL-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.56
Rot. Bonds1

About 3-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline

3-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106903175) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 3-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID106903175
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name3-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CC(c1ncn[nH]1)CN2
InChIInChI=1S/C11H12N4/c1-2-4-10-8(3-1)5-9(6-12-10)11-13-7-14-15-11/h1-4,7,9,12H,5-6H2,(H,13,14,15)
InChIKeyFIRUIVGXSCAVCL-UHFFFAOYSA-N
XLogP1.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7H-purin-8-yl)-1,2,3,4-tetrahydroquinoline
CID 106902586
3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline
CID 106903185
3-(4-phenylphenyl)-1,2,3,4-tetrahydroquinoline
CID 101408194
6-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,3,4-tetrahydroquinoxaline
CID 134443689
(3S)-3-thiophen-2-yl-1,2,3,4-tetrahydroquinoline
CID 42080152
3-pyrimidin-2-yl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
CID 106902639
3-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 106781776
7-bromo-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole
CID 106902739
3-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 155943544
3-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 106780991
(3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 96558902
N-cyclobutyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 105454816

Frequently Asked Questions

What is the IUPAC name of 3-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline (CID 106903175) is 3-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline is c1ccc2c(c1)CC(c1ncn[nH]1)CN2.
What is the InChIKey of 3-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is FIRUIVGXSCAVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-2-4-10-8(3-1)5-9(6-12-10)11-13-7-14-15-11/h1-4,7,9,12H,5-6H2,(H,13,14,15).
What are the key properties of 3-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline?
3-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 200.25 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106903175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).