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

C17H20N4 — CID 136559760

IUPAC3-(indol-1-ylmethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1(C)CCc2nnc(Cn3ccc4ccccc43)n2C1
InChIInChI=1S/C17H20N4/c1-17(2)9-7-15-18-19-16(21(15)12-17)11-20-10-8-13-5-3-4-6-14(13)20/h3-6,8,10H,7,9,11-12H2,1-2H3
InChIKeyLVCXAWOAITWFLH-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.25
Rot. Bonds2

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

3-(indol-1-ylmethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 136559760) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 3-(indol-1-ylmethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(indol-1-ylmethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID136559760
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name3-(indol-1-ylmethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1(C)CCc2nnc(Cn3ccc4ccccc43)n2C1
InChIInChI=1S/C17H20N4/c1-17(2)9-7-15-18-19-16(21(15)12-17)11-20-10-8-13-5-3-4-6-14(13)20/h3-6,8,10H,7,9,11-12H2,1-2H3
InChIKeyLVCXAWOAITWFLH-UHFFFAOYSA-N
XLogP3.25
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(indol-1-ylmethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(indol-1-ylmethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (CID 136559760) is 3-(indol-1-ylmethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(indol-1-ylmethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(indol-1-ylmethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is CC1(C)CCc2nnc(Cn3ccc4ccccc43)n2C1.
What is the InChIKey of 3-(indol-1-ylmethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is LVCXAWOAITWFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-17(2)9-7-15-18-19-16(21(15)12-17)11-20-10-8-13-5-3-4-6-14(13)20/h3-6,8,10H,7,9,11-12H2,1-2H3.
What are the key properties of 3-(indol-1-ylmethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
3-(indol-1-ylmethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 280.38 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(indol-1-ylmethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 136559760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).