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

C15H19N5 — CID 80575135

IUPAC7-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1ccc2c(c1)NCC2CCN1CCn2cnnc2C1
InChIInChI=1S/C15H19N5/c1-2-4-14-13(3-1)12(9-16-14)5-6-19-7-8-20-11-17-18-15(20)10-19/h1-4,11-12,16H,5-10H2
InChIKeySMYMNFPNEWJUJZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.69
Rot. Bonds3

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

7-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 80575135) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 7-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID80575135
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name7-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1ccc2c(c1)NCC2CCN1CCn2cnnc2C1
InChIInChI=1S/C15H19N5/c1-2-4-14-13(3-1)12(9-16-14)5-6-19-7-8-20-11-17-18-15(20)10-19/h1-4,11-12,16H,5-10H2
InChIKeySMYMNFPNEWJUJZ-UHFFFAOYSA-N
XLogP1.69
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 80575135) is 7-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is c1ccc2c(c1)NCC2CCN1CCn2cnnc2C1.
What is the InChIKey of 7-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is SMYMNFPNEWJUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-2-4-14-13(3-1)12(9-16-14)5-6-19-7-8-20-11-17-18-15(20)10-19/h1-4,11-12,16H,5-10H2.
What are the key properties of 7-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 269.35 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 80575135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).