2-amino-3-pyrazin-2-ylsulfanylpropan-1-ol

C7H11N3OS — CID 64805704

IUPAC2-amino-3-pyrazin-2-ylsulfanylpropan-1-ol
SMILESNC(CO)CSc1cnccn1
InChIInChI=1S/C7H11N3OS/c8-6(4-11)5-12-7-3-9-1-2-10-7/h1-3,6,11H,4-5,8H2
InChIKeyWKRSSGXCPVMNOR-UHFFFAOYSA-N
MW185.25 g/mol
LogP-0.11
Rot. Bonds4

About 2-amino-3-pyrazin-2-ylsulfanylpropan-1-ol

2-amino-3-pyrazin-2-ylsulfanylpropan-1-ol (PubChem CID 64805704) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-amino-3-pyrazin-2-ylsulfanylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-pyrazin-2-ylsulfanylpropan-1-ol
PubChem CID64805704
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name2-amino-3-pyrazin-2-ylsulfanylpropan-1-ol
SMILESNC(CO)CSc1cnccn1
InChIInChI=1S/C7H11N3OS/c8-6(4-11)5-12-7-3-9-1-2-10-7/h1-3,6,11H,4-5,8H2
InChIKeyWKRSSGXCPVMNOR-UHFFFAOYSA-N
XLogP-0.11
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-pyrazin-2-ylsulfanylpropan-1-ol?
The IUPAC name of 2-amino-3-pyrazin-2-ylsulfanylpropan-1-ol (CID 64805704) is 2-amino-3-pyrazin-2-ylsulfanylpropan-1-ol.
What is the SMILES notation for 2-amino-3-pyrazin-2-ylsulfanylpropan-1-ol?
The canonical SMILES for 2-amino-3-pyrazin-2-ylsulfanylpropan-1-ol is NC(CO)CSc1cnccn1.
What is the InChIKey of 2-amino-3-pyrazin-2-ylsulfanylpropan-1-ol?
The InChIKey is WKRSSGXCPVMNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c8-6(4-11)5-12-7-3-9-1-2-10-7/h1-3,6,11H,4-5,8H2.
What are the key properties of 2-amino-3-pyrazin-2-ylsulfanylpropan-1-ol?
2-amino-3-pyrazin-2-ylsulfanylpropan-1-ol has a molecular weight of 185.25 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-pyrazin-2-ylsulfanylpropan-1-ol is sourced from PubChem (CID 64805704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).