2-pyrazin-2-yl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;dihydrochloride

C12H13Cl2N7S — CID 67454688

IUPAC2-pyrazin-2-yl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;dihydrochloride
SMILESCl.Cl.c1cnc(-c2nc(-c3nnc4n3CCNC4)cs2)cn1
InChIInChI=1S/C12H11N7S.2ClH/c1-2-15-8(5-13-1)12-16-9(7-20-12)11-18-17-10-6-14-3-4-19(10)11;;/h1-2,5,7,14H,3-4,6H2;2*1H
InChIKeyUWUNUQRIWGQMLM-UHFFFAOYSA-N
MW358.26 g/mol
LogP1.81
Rot. Bonds2

About 2-pyrazin-2-yl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;dihydrochloride

2-pyrazin-2-yl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;dihydrochloride (PubChem CID 67454688) has the molecular formula C12H13Cl2N7S and a molecular weight of 358.26 g/mol. Its IUPAC name is 2-pyrazin-2-yl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name2-pyrazin-2-yl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;dihydrochloride
PubChem CID67454688
Molecular FormulaC12H13Cl2N7S
Molecular Weight358.26 g/mol
Exact Mass357.03
IUPAC Name2-pyrazin-2-yl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;dihydrochloride
SMILESCl.Cl.c1cnc(-c2nc(-c3nnc4n3CCNC4)cs2)cn1
InChIInChI=1S/C12H11N7S.2ClH/c1-2-15-8(5-13-1)12-16-9(7-20-12)11-18-17-10-6-14-3-4-19(10)11;;/h1-2,5,7,14H,3-4,6H2;2*1H
InChIKeyUWUNUQRIWGQMLM-UHFFFAOYSA-N
XLogP1.81
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-yl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;dihydrochloride?
The IUPAC name of 2-pyrazin-2-yl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;dihydrochloride (CID 67454688) is 2-pyrazin-2-yl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 2-pyrazin-2-yl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;dihydrochloride?
The canonical SMILES for 2-pyrazin-2-yl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;dihydrochloride is Cl.Cl.c1cnc(-c2nc(-c3nnc4n3CCNC4)cs2)cn1.
What is the InChIKey of 2-pyrazin-2-yl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;dihydrochloride?
The InChIKey is UWUNUQRIWGQMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7S.2ClH/c1-2-15-8(5-13-1)12-16-9(7-20-12)11-18-17-10-6-14-3-4-19(10)11;;/h1-2,5,7,14H,3-4,6H2;2*1H.
What are the key properties of 2-pyrazin-2-yl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;dihydrochloride?
2-pyrazin-2-yl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;dihydrochloride has a molecular weight of 358.26 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-yl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;dihydrochloride is sourced from PubChem (CID 67454688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).