2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C12H13N7S — CID 64579820

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(CN2CCn3cnnc3C2)nc2sccc12
InChIInChI=1S/C12H13N7S/c13-11-8-1-4-20-12(8)16-9(15-11)5-18-2-3-19-7-14-17-10(19)6-18/h1,4,7H,2-3,5-6H2,(H2,13,15,16)
InChIKeyKEDLEXFCFSBTHA-UHFFFAOYSA-N
MW287.35 g/mol
LogP0.88
Rot. Bonds2

About 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 64579820) has the molecular formula C12H13N7S and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID64579820
Molecular FormulaC12H13N7S
Molecular Weight287.35 g/mol
Exact Mass287.10
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(CN2CCn3cnnc3C2)nc2sccc12
InChIInChI=1S/C12H13N7S/c13-11-8-1-4-20-12(8)16-9(15-11)5-18-2-3-19-7-14-17-10(19)6-18/h1,4,7H,2-3,5-6H2,(H2,13,15,16)
InChIKeyKEDLEXFCFSBTHA-UHFFFAOYSA-N
XLogP0.88
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thieno[2,3-d]pyrimidin-4-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 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 64579820) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Nc1nc(CN2CCn3cnnc3C2)nc2sccc12.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KEDLEXFCFSBTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7S/c13-11-8-1-4-20-12(8)16-9(15-11)5-18-2-3-19-7-14-17-10(19)6-18/h1,4,7H,2-3,5-6H2,(H2,13,15,16).
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 287.35 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 64579820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).