2-methyl-5-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazine

C13H12N6S — CID 71933635

IUPAC2-methyl-5-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazine
SMILESCc1cnc(CSc2n[nH]c(-c3cccnc3)n2)cn1
InChIInChI=1S/C13H12N6S/c1-9-5-16-11(7-15-9)8-20-13-17-12(18-19-13)10-3-2-4-14-6-10/h2-7H,8H2,1H3,(H,17,18,19)
InChIKeyHWRAZHGPQGHOOB-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.26
Rot. Bonds4

About 2-methyl-5-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazine

2-methyl-5-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazine (PubChem CID 71933635) has the molecular formula C13H12N6S and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-methyl-5-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazine.

Molecular Properties

Compound Name2-methyl-5-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazine
PubChem CID71933635
Molecular FormulaC13H12N6S
Molecular Weight284.35 g/mol
Exact Mass284.08
IUPAC Name2-methyl-5-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazine
SMILESCc1cnc(CSc2n[nH]c(-c3cccnc3)n2)cn1
InChIInChI=1S/C13H12N6S/c1-9-5-16-11(7-15-9)8-20-13-17-12(18-19-13)10-3-2-4-14-6-10/h2-7H,8H2,1H3,(H,17,18,19)
InChIKeyHWRAZHGPQGHOOB-UHFFFAOYSA-N
XLogP2.26
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazine?
The IUPAC name of 2-methyl-5-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazine (CID 71933635) is 2-methyl-5-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazine.
What is the SMILES notation for 2-methyl-5-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazine?
The canonical SMILES for 2-methyl-5-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazine is Cc1cnc(CSc2n[nH]c(-c3cccnc3)n2)cn1.
What is the InChIKey of 2-methyl-5-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazine?
The InChIKey is HWRAZHGPQGHOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6S/c1-9-5-16-11(7-15-9)8-20-13-17-12(18-19-13)10-3-2-4-14-6-10/h2-7H,8H2,1H3,(H,17,18,19).
What are the key properties of 2-methyl-5-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazine?
2-methyl-5-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazine has a molecular weight of 284.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazine is sourced from PubChem (CID 71933635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).