N-ethyl-6-(1-methylimidazol-2-yl)sulfanylpyrazin-2-amine

C10H13N5S — CID 78990307

IUPACN-ethyl-6-(1-methylimidazol-2-yl)sulfanylpyrazin-2-amine
SMILESCCNc1cncc(Sc2nccn2C)n1
InChIInChI=1S/C10H13N5S/c1-3-12-8-6-11-7-9(14-8)16-10-13-4-5-15(10)2/h4-7H,3H2,1-2H3,(H,12,14)
InChIKeyFKTMFHURQYYDLG-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.79
Rot. Bonds4

About N-ethyl-6-(1-methylimidazol-2-yl)sulfanylpyrazin-2-amine

N-ethyl-6-(1-methylimidazol-2-yl)sulfanylpyrazin-2-amine (PubChem CID 78990307) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is N-ethyl-6-(1-methylimidazol-2-yl)sulfanylpyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(1-methylimidazol-2-yl)sulfanylpyrazin-2-amine
PubChem CID78990307
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC NameN-ethyl-6-(1-methylimidazol-2-yl)sulfanylpyrazin-2-amine
SMILESCCNc1cncc(Sc2nccn2C)n1
InChIInChI=1S/C10H13N5S/c1-3-12-8-6-11-7-9(14-8)16-10-13-4-5-15(10)2/h4-7H,3H2,1-2H3,(H,12,14)
InChIKeyFKTMFHURQYYDLG-UHFFFAOYSA-N
XLogP1.79
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(1-methylimidazol-2-yl)sulfanylpyrazin-2-amine?
The IUPAC name of N-ethyl-6-(1-methylimidazol-2-yl)sulfanylpyrazin-2-amine (CID 78990307) is N-ethyl-6-(1-methylimidazol-2-yl)sulfanylpyrazin-2-amine.
What is the SMILES notation for N-ethyl-6-(1-methylimidazol-2-yl)sulfanylpyrazin-2-amine?
The canonical SMILES for N-ethyl-6-(1-methylimidazol-2-yl)sulfanylpyrazin-2-amine is CCNc1cncc(Sc2nccn2C)n1.
What is the InChIKey of N-ethyl-6-(1-methylimidazol-2-yl)sulfanylpyrazin-2-amine?
The InChIKey is FKTMFHURQYYDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-3-12-8-6-11-7-9(14-8)16-10-13-4-5-15(10)2/h4-7H,3H2,1-2H3,(H,12,14).
What are the key properties of N-ethyl-6-(1-methylimidazol-2-yl)sulfanylpyrazin-2-amine?
N-ethyl-6-(1-methylimidazol-2-yl)sulfanylpyrazin-2-amine has a molecular weight of 235.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(1-methylimidazol-2-yl)sulfanylpyrazin-2-amine is sourced from PubChem (CID 78990307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).