1-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol

C10H15N3OS — CID 63380951

IUPAC1-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol
SMILESOC(CNC1CC1)CSc1cnccn1
InChIInChI=1S/C10H15N3OS/c14-9(5-13-8-1-2-8)7-15-10-6-11-3-4-12-10/h3-4,6,8-9,13-14H,1-2,5,7H2
InChIKeyNDOHBCBCBRBHQS-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.68
Rot. Bonds6

About 1-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol

1-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol (PubChem CID 63380951) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol
PubChem CID63380951
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name1-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol
SMILESOC(CNC1CC1)CSc1cnccn1
InChIInChI=1S/C10H15N3OS/c14-9(5-13-8-1-2-8)7-15-10-6-11-3-4-12-10/h3-4,6,8-9,13-14H,1-2,5,7H2
InChIKeyNDOHBCBCBRBHQS-UHFFFAOYSA-N
XLogP0.68
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol (CID 63380951) is 1-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol is OC(CNC1CC1)CSc1cnccn1.
What is the InChIKey of 1-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol?
The InChIKey is NDOHBCBCBRBHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c14-9(5-13-8-1-2-8)7-15-10-6-11-3-4-12-10/h3-4,6,8-9,13-14H,1-2,5,7H2.
What are the key properties of 1-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol?
1-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol has a molecular weight of 225.32 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol is sourced from PubChem (CID 63380951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).