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

C13H17N7S — CID 64575731

IUPACN-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1c(N2CCn3cnnc3C2)nc2sccn12
InChIInChI=1S/C13H17N7S/c1-2-14-7-10-12(16-13-20(10)5-6-21-13)18-3-4-19-9-15-17-11(19)8-18/h5-6,9,14H,2-4,7-8H2,1H3
InChIKeyVHAPMSWHDSRUAK-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.12
Rot. Bonds4

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

N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine (PubChem CID 64575731) has the molecular formula C13H17N7S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
PubChem CID64575731
Molecular FormulaC13H17N7S
Molecular Weight303.39 g/mol
Exact Mass303.13
IUPAC NameN-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1c(N2CCn3cnnc3C2)nc2sccn12
InChIInChI=1S/C13H17N7S/c1-2-14-7-10-12(16-13-20(10)5-6-21-13)18-3-4-19-9-15-17-11(19)8-18/h5-6,9,14H,2-4,7-8H2,1H3
InChIKeyVHAPMSWHDSRUAK-UHFFFAOYSA-N
XLogP1.12
TPSA63.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine (CID 64575731) is N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine is CCNCc1c(N2CCn3cnnc3C2)nc2sccn12.
What is the InChIKey of N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The InChIKey is VHAPMSWHDSRUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7S/c1-2-14-7-10-12(16-13-20(10)5-6-21-13)18-3-4-19-9-15-17-11(19)8-18/h5-6,9,14H,2-4,7-8H2,1H3.
What are the key properties of N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine has a molecular weight of 303.39 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 64575731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).