3-(2,3-dihydro-1H-indol-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C14H16N4 — CID 81058149

IUPAC3-(2,3-dihydro-1H-indol-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccc2c(c1)CC(c1nnc3n1CCCC3)N2
InChIInChI=1S/C14H16N4/c1-2-6-11-10(5-1)9-12(15-11)14-17-16-13-7-3-4-8-18(13)14/h1-2,5-6,12,15H,3-4,7-9H2
InChIKeyKUNRGRDRWSPMKS-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.32
Rot. Bonds1

About 3-(2,3-dihydro-1H-indol-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

3-(2,3-dihydro-1H-indol-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 81058149) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID81058149
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name3-(2,3-dihydro-1H-indol-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccc2c(c1)CC(c1nnc3n1CCCC3)N2
InChIInChI=1S/C14H16N4/c1-2-6-11-10(5-1)9-12(15-11)14-17-16-13-7-3-4-8-18(13)14/h1-2,5-6,12,15H,3-4,7-9H2
InChIKeyKUNRGRDRWSPMKS-UHFFFAOYSA-N
XLogP2.32
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,3-dihydro-1H-indol-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

(2S)-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
CID 104899326
2-(4-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
CID 62694070
4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 81057890
3-[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 94017775
6-bromo-3-(2,3-dihydro-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 65347794
3-(2,3-dihydro-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 43479044
3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2,3-dihydro-1H-indole
CID 80565130
2-(4-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
CID 62709741
3-(1-quinolin-4-ylpyrrolidin-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 75370497
3-(azocan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 114239810
3-(azocan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 114239815
5-phenyl-3-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole
CID 133481705

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(2,3-dihydro-1H-indol-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 81058149) is 3-(2,3-dihydro-1H-indol-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is c1ccc2c(c1)CC(c1nnc3n1CCCC3)N2.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is KUNRGRDRWSPMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-2-6-11-10(5-1)9-12(15-11)14-17-16-13-7-3-4-8-18(13)14/h1-2,5-6,12,15H,3-4,7-9H2.
What are the key properties of 3-(2,3-dihydro-1H-indol-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
3-(2,3-dihydro-1H-indol-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 240.31 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 81058149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).