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

C12H16N6 — CID 107340269

IUPAC6-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-3-amine
SMILESNc1ccc(CCN2CCn3cnnc3C2)nc1
InChIInChI=1S/C12H16N6/c13-10-1-2-11(14-7-10)3-4-17-5-6-18-9-15-16-12(18)8-17/h1-2,7,9H,3-6,8,13H2
InChIKeyNEUVEPLJBLCDTI-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.31
Rot. Bonds3

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

6-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-3-amine (PubChem CID 107340269) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-3-amine
PubChem CID107340269
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name6-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-3-amine
SMILESNc1ccc(CCN2CCn3cnnc3C2)nc1
InChIInChI=1S/C12H16N6/c13-10-1-2-11(14-7-10)3-4-17-5-6-18-9-15-16-12(18)8-17/h1-2,7,9H,3-6,8,13H2
InChIKeyNEUVEPLJBLCDTI-UHFFFAOYSA-N
XLogP0.31
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-3-amine?
The IUPAC name of 6-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-3-amine (CID 107340269) is 6-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-3-amine.
What is the SMILES notation for 6-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-3-amine?
The canonical SMILES for 6-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-3-amine is Nc1ccc(CCN2CCn3cnnc3C2)nc1.
What is the InChIKey of 6-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-3-amine?
The InChIKey is NEUVEPLJBLCDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c13-10-1-2-11(14-7-10)3-4-17-5-6-18-9-15-16-12(18)8-17/h1-2,7,9H,3-6,8,13H2.
What are the key properties of 6-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-3-amine?
6-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-3-amine has a molecular weight of 244.30 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-3-amine is sourced from PubChem (CID 107340269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).