1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol

C10H17N3OS — CID 63380999

IUPAC1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol
SMILESCC(C)NCC(O)CSc1cnccn1
InChIInChI=1S/C10H17N3OS/c1-8(2)13-5-9(14)7-15-10-6-11-3-4-12-10/h3-4,6,8-9,13-14H,5,7H2,1-2H3
InChIKeyUADFWAIEBCSRLY-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.93
Rot. Bonds6

About 1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol

1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol (PubChem CID 63380999) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol
PubChem CID63380999
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol
SMILESCC(C)NCC(O)CSc1cnccn1
InChIInChI=1S/C10H17N3OS/c1-8(2)13-5-9(14)7-15-10-6-11-3-4-12-10/h3-4,6,8-9,13-14H,5,7H2,1-2H3
InChIKeyUADFWAIEBCSRLY-UHFFFAOYSA-N
XLogP0.93
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol?
The IUPAC name of 1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol (CID 63380999) is 1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol?
The canonical SMILES for 1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol is CC(C)NCC(O)CSc1cnccn1.
What is the InChIKey of 1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol?
The InChIKey is UADFWAIEBCSRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-8(2)13-5-9(14)7-15-10-6-11-3-4-12-10/h3-4,6,8-9,13-14H,5,7H2,1-2H3.
What are the key properties of 1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol?
1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol has a molecular weight of 227.33 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol is sourced from PubChem (CID 63380999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).