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

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

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Launch Full Analysis

Related Compounds

3-[3-[2-(2,6-dimethylphenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridine
CID 71888166
3-[3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridine
CID 132894059
N-(2,6-dimethylphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3536533
5,6-dimethyl-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 167922475
2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 166224516
4-[3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridine
CID 2223773
3-[3-[[5-[4-(3-fluorophenoxy)phenyl]-1H-imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridine
CID 66562575
2-(4-methylphenyl)-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 7818447
N-(2-methylphenyl)-3-[3-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 50812174
methyl 2-[[2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
CID 1147212
N,N-diethyl-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine
CID 154759721
2-methyl-5-(3-pyridin-3-yl-1H-pyrazol-5-yl)pyrazine
CID 141253813

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).