4-propan-2-ylsulfanyl-1-pyrazin-2-ylpyrazol-5-amine

C10H13N5S — CID 81041601

IUPAC4-propan-2-ylsulfanyl-1-pyrazin-2-ylpyrazol-5-amine
SMILESCC(C)Sc1cnn(-c2cnccn2)c1N
InChIInChI=1S/C10H13N5S/c1-7(2)16-8-5-14-15(10(8)11)9-6-12-3-4-13-9/h3-7H,11H2,1-2H3
InChIKeyKUFKLKHDRCLGNC-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.75
Rot. Bonds3

About 4-propan-2-ylsulfanyl-1-pyrazin-2-ylpyrazol-5-amine

4-propan-2-ylsulfanyl-1-pyrazin-2-ylpyrazol-5-amine (PubChem CID 81041601) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 4-propan-2-ylsulfanyl-1-pyrazin-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-propan-2-ylsulfanyl-1-pyrazin-2-ylpyrazol-5-amine
PubChem CID81041601
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name4-propan-2-ylsulfanyl-1-pyrazin-2-ylpyrazol-5-amine
SMILESCC(C)Sc1cnn(-c2cnccn2)c1N
InChIInChI=1S/C10H13N5S/c1-7(2)16-8-5-14-15(10(8)11)9-6-12-3-4-13-9/h3-7H,11H2,1-2H3
InChIKeyKUFKLKHDRCLGNC-UHFFFAOYSA-N
XLogP1.75
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylsulfanyl-1-pyrazin-2-ylpyrazol-5-amine?
The IUPAC name of 4-propan-2-ylsulfanyl-1-pyrazin-2-ylpyrazol-5-amine (CID 81041601) is 4-propan-2-ylsulfanyl-1-pyrazin-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-propan-2-ylsulfanyl-1-pyrazin-2-ylpyrazol-5-amine?
The canonical SMILES for 4-propan-2-ylsulfanyl-1-pyrazin-2-ylpyrazol-5-amine is CC(C)Sc1cnn(-c2cnccn2)c1N.
What is the InChIKey of 4-propan-2-ylsulfanyl-1-pyrazin-2-ylpyrazol-5-amine?
The InChIKey is KUFKLKHDRCLGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-7(2)16-8-5-14-15(10(8)11)9-6-12-3-4-13-9/h3-7H,11H2,1-2H3.
What are the key properties of 4-propan-2-ylsulfanyl-1-pyrazin-2-ylpyrazol-5-amine?
4-propan-2-ylsulfanyl-1-pyrazin-2-ylpyrazol-5-amine has a molecular weight of 235.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylsulfanyl-1-pyrazin-2-ylpyrazol-5-amine is sourced from PubChem (CID 81041601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).