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

C15H18N4 — CID 81057061

IUPAC3-(2,3-dihydro-1H-indol-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccc2c(c1)NCC2Cc1nnc2n1CCCC2
InChIInChI=1S/C15H18N4/c1-2-6-13-12(5-1)11(10-16-13)9-15-18-17-14-7-3-4-8-19(14)15/h1-2,5-6,11,16H,3-4,7-10H2
InChIKeyAGHREJOXBVBKIU-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.37
Rot. Bonds2

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

3-(2,3-dihydro-1H-indol-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 81057061) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID81057061
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name3-(2,3-dihydro-1H-indol-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccc2c(c1)NCC2Cc1nnc2n1CCCC2
InChIInChI=1S/C15H18N4/c1-2-6-13-12(5-1)11(10-16-13)9-15-18-17-14-7-3-4-8-19(14)15/h1-2,5-6,11,16H,3-4,7-10H2
InChIKeyAGHREJOXBVBKIU-UHFFFAOYSA-N
XLogP2.37
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2,3-dihydro-1H-indole
CID 80565130
3-benzyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 657668
3-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 136559880
3-(2-phenoxyethyl)-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 154780886
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
3-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117149171
2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 80577284
2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylsulfanyl)aniline
CID 107077985
3-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indole
CID 22037969
5-phenyl-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperazin-2-one
CID 136564025
3-(chloromethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 66489687
3-(1H-indol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 138378454

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(2,3-dihydro-1H-indol-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 81057061) is 3-(2,3-dihydro-1H-indol-3-ylmethyl)-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-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is c1ccc2c(c1)NCC2Cc1nnc2n1CCCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is AGHREJOXBVBKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-6-13-12(5-1)11(10-16-13)9-15-18-17-14-7-3-4-8-19(14)15/h1-2,5-6,11,16H,3-4,7-10H2.
What are the key properties of 3-(2,3-dihydro-1H-indol-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
3-(2,3-dihydro-1H-indol-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 254.34 g/mol, XLogP of 2.37, 2 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-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 81057061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).