6-(1H-benzimidazol-2-ylsulfanyl)pyrazin-2-amine

C11H9N5S — CID 80647029

IUPAC6-(1H-benzimidazol-2-ylsulfanyl)pyrazin-2-amine
SMILESNc1cncc(Sc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C11H9N5S/c12-9-5-13-6-10(16-9)17-11-14-7-3-1-2-4-8(7)15-11/h1-6H,(H2,12,16)(H,14,15)
InChIKeyVSHBDVWZBRMDPS-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.09
Rot. Bonds2

About 6-(1H-benzimidazol-2-ylsulfanyl)pyrazin-2-amine

6-(1H-benzimidazol-2-ylsulfanyl)pyrazin-2-amine (PubChem CID 80647029) has the molecular formula C11H9N5S and a molecular weight of 243.30 g/mol. Its IUPAC name is 6-(1H-benzimidazol-2-ylsulfanyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(1H-benzimidazol-2-ylsulfanyl)pyrazin-2-amine
PubChem CID80647029
Molecular FormulaC11H9N5S
Molecular Weight243.30 g/mol
Exact Mass243.06
IUPAC Name6-(1H-benzimidazol-2-ylsulfanyl)pyrazin-2-amine
SMILESNc1cncc(Sc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C11H9N5S/c12-9-5-13-6-10(16-9)17-11-14-7-3-1-2-4-8(7)15-11/h1-6H,(H2,12,16)(H,14,15)
InChIKeyVSHBDVWZBRMDPS-UHFFFAOYSA-N
XLogP2.09
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1H-benzimidazol-2-ylmethyl)pyrazin-2-amine
CID 96604108
4-(1H-benzimidazol-2-ylsulfanyl)-1H-pyrazol-5-amine
CID 114991117
2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-benzimidazole
CID 63586553
6-(1H-benzimidazol-2-ylsulfanyl)-2-propylpyrimidin-4-amine
CID 80949788
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole
CID 779801
4-(1H-benzimidazol-2-ylsulfanyl)-5-bromopyrimidin-2-amine
CID 80882654
4-(1H-benzimidazol-2-ylsulfanyl)-5-fluoropyrimidin-2-amine
CID 80882219
2-(1H-benzimidazol-2-ylsulfanyl)pyrimidine-5-carbaldehyde
CID 113388621
1H-benzimidazol-2-yl thiohypoiodite
CID 142014861
6-(2-chlorophenyl)sulfanylpyrazin-2-amine
CID 80646915
6-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboxylic acid
CID 62240073
2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole
CID 177375670

Frequently Asked Questions

What is the IUPAC name of 6-(1H-benzimidazol-2-ylsulfanyl)pyrazin-2-amine?
The IUPAC name of 6-(1H-benzimidazol-2-ylsulfanyl)pyrazin-2-amine (CID 80647029) is 6-(1H-benzimidazol-2-ylsulfanyl)pyrazin-2-amine.
What is the SMILES notation for 6-(1H-benzimidazol-2-ylsulfanyl)pyrazin-2-amine?
The canonical SMILES for 6-(1H-benzimidazol-2-ylsulfanyl)pyrazin-2-amine is Nc1cncc(Sc2nc3ccccc3[nH]2)n1.
What is the InChIKey of 6-(1H-benzimidazol-2-ylsulfanyl)pyrazin-2-amine?
The InChIKey is VSHBDVWZBRMDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5S/c12-9-5-13-6-10(16-9)17-11-14-7-3-1-2-4-8(7)15-11/h1-6H,(H2,12,16)(H,14,15).
What are the key properties of 6-(1H-benzimidazol-2-ylsulfanyl)pyrazin-2-amine?
6-(1H-benzimidazol-2-ylsulfanyl)pyrazin-2-amine has a molecular weight of 243.30 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-benzimidazol-2-ylsulfanyl)pyrazin-2-amine is sourced from PubChem (CID 80647029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).