2-pyrazin-2-yl-4-(1,2,4-triazol-4-ylmethyl)-1,3-thiazole

C10H8N6S — CID 50950447

IUPAC2-pyrazin-2-yl-4-(1,2,4-triazol-4-ylmethyl)-1,3-thiazole
SMILESc1cnc(-c2nc(Cn3cnnc3)cs2)cn1
InChIInChI=1S/C10H8N6S/c1-2-12-9(3-11-1)10-15-8(5-17-10)4-16-6-13-14-7-16/h1-3,5-7H,4H2
InChIKeyZKCFBDRPUSVBKD-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.24
Rot. Bonds3

About 2-pyrazin-2-yl-4-(1,2,4-triazol-4-ylmethyl)-1,3-thiazole

2-pyrazin-2-yl-4-(1,2,4-triazol-4-ylmethyl)-1,3-thiazole (PubChem CID 50950447) has the molecular formula C10H8N6S and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-pyrazin-2-yl-4-(1,2,4-triazol-4-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-pyrazin-2-yl-4-(1,2,4-triazol-4-ylmethyl)-1,3-thiazole
PubChem CID50950447
Molecular FormulaC10H8N6S
Molecular Weight244.28 g/mol
Exact Mass244.05
IUPAC Name2-pyrazin-2-yl-4-(1,2,4-triazol-4-ylmethyl)-1,3-thiazole
SMILESc1cnc(-c2nc(Cn3cnnc3)cs2)cn1
InChIInChI=1S/C10H8N6S/c1-2-12-9(3-11-1)10-15-8(5-17-10)4-16-6-13-14-7-16/h1-3,5-7H,4H2
InChIKeyZKCFBDRPUSVBKD-UHFFFAOYSA-N
XLogP1.24
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-yl-4-(1,2,4-triazol-4-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-pyrazin-2-yl-4-(1,2,4-triazol-4-ylmethyl)-1,3-thiazole (CID 50950447) is 2-pyrazin-2-yl-4-(1,2,4-triazol-4-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-pyrazin-2-yl-4-(1,2,4-triazol-4-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-pyrazin-2-yl-4-(1,2,4-triazol-4-ylmethyl)-1,3-thiazole is c1cnc(-c2nc(Cn3cnnc3)cs2)cn1.
What is the InChIKey of 2-pyrazin-2-yl-4-(1,2,4-triazol-4-ylmethyl)-1,3-thiazole?
The InChIKey is ZKCFBDRPUSVBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6S/c1-2-12-9(3-11-1)10-15-8(5-17-10)4-16-6-13-14-7-16/h1-3,5-7H,4H2.
What are the key properties of 2-pyrazin-2-yl-4-(1,2,4-triazol-4-ylmethyl)-1,3-thiazole?
2-pyrazin-2-yl-4-(1,2,4-triazol-4-ylmethyl)-1,3-thiazole has a molecular weight of 244.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-yl-4-(1,2,4-triazol-4-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 50950447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).