1-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine

C13H17N7S — CID 64580254

IUPAC1-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1c(N2CCn3cnnc3C2)nc2sccn12
InChIInChI=1S/C13H17N7S/c1-9(14)6-10-12(16-13-20(10)4-5-21-13)18-2-3-19-8-15-17-11(19)7-18/h4-5,8-9H,2-3,6-7,14H2,1H3
InChIKeyRTUSIUDITMYLEX-UHFFFAOYSA-N
MW303.39 g/mol
LogP0.90
Rot. Bonds3

About 1-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine

1-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine (PubChem CID 64580254) has the molecular formula C13H17N7S and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
PubChem CID64580254
Molecular FormulaC13H17N7S
Molecular Weight303.39 g/mol
Exact Mass303.13
IUPAC Name1-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1c(N2CCn3cnnc3C2)nc2sccn12
InChIInChI=1S/C13H17N7S/c1-9(14)6-10-12(16-13-20(10)4-5-21-13)18-2-3-19-8-15-17-11(19)7-18/h4-5,8-9H,2-3,6-7,14H2,1H3
InChIKeyRTUSIUDITMYLEX-UHFFFAOYSA-N
XLogP0.90
TPSA77.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine?
The IUPAC name of 1-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine (CID 64580254) is 1-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine is CC(N)Cc1c(N2CCn3cnnc3C2)nc2sccn12.
What is the InChIKey of 1-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine?
The InChIKey is RTUSIUDITMYLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7S/c1-9(14)6-10-12(16-13-20(10)4-5-21-13)18-2-3-19-8-15-17-11(19)7-18/h4-5,8-9H,2-3,6-7,14H2,1H3.
What are the key properties of 1-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine?
1-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine has a molecular weight of 303.39 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 64580254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).