2-methyl-5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazine

C11H9N5S — CID 62735073

IUPAC2-methyl-5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazine
SMILESCc1cnc(-c2n[nH]c(-c3cccs3)n2)cn1
InChIInChI=1S/C11H9N5S/c1-7-5-13-8(6-12-7)10-14-11(16-15-10)9-3-2-4-17-9/h2-6H,1H3,(H,14,15,16)
InChIKeyUCDQBMMRQCKDCA-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.30
Rot. Bonds2

About 2-methyl-5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazine

2-methyl-5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazine (PubChem CID 62735073) has the molecular formula C11H9N5S and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-methyl-5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazine.

Molecular Properties

Compound Name2-methyl-5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazine
PubChem CID62735073
Molecular FormulaC11H9N5S
Molecular Weight243.30 g/mol
Exact Mass243.06
IUPAC Name2-methyl-5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazine
SMILESCc1cnc(-c2n[nH]c(-c3cccs3)n2)cn1
InChIInChI=1S/C11H9N5S/c1-7-5-13-8(6-12-7)10-14-11(16-15-10)9-3-2-4-17-9/h2-6H,1H3,(H,14,15,16)
InChIKeyUCDQBMMRQCKDCA-UHFFFAOYSA-N
XLogP2.30
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazine?
The IUPAC name of 2-methyl-5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazine (CID 62735073) is 2-methyl-5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazine.
What is the SMILES notation for 2-methyl-5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazine?
The canonical SMILES for 2-methyl-5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazine is Cc1cnc(-c2n[nH]c(-c3cccs3)n2)cn1.
What is the InChIKey of 2-methyl-5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazine?
The InChIKey is UCDQBMMRQCKDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5S/c1-7-5-13-8(6-12-7)10-14-11(16-15-10)9-3-2-4-17-9/h2-6H,1H3,(H,14,15,16).
What are the key properties of 2-methyl-5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazine?
2-methyl-5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazine has a molecular weight of 243.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazine is sourced from PubChem (CID 62735073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).