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

C10H17N3OS — CID 63381000

IUPAC1-(propylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol
SMILESCCCNCC(O)CSc1cnccn1
InChIInChI=1S/C10H17N3OS/c1-2-3-11-6-9(14)8-15-10-7-12-4-5-13-10/h4-5,7,9,11,14H,2-3,6,8H2,1H3
InChIKeyNXPVVQMEMCRPOE-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.93
Rot. Bonds7

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

1-(propylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol (PubChem CID 63381000) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-(propylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(propylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol
PubChem CID63381000
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name1-(propylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol
SMILESCCCNCC(O)CSc1cnccn1
InChIInChI=1S/C10H17N3OS/c1-2-3-11-6-9(14)8-15-10-7-12-4-5-13-10/h4-5,7,9,11,14H,2-3,6,8H2,1H3
InChIKeyNXPVVQMEMCRPOE-UHFFFAOYSA-N
XLogP0.93
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 165787014
CID 165787014
CID 55248327
CID 55248327
CID 63380715
CID 63380715
CID 63380721
CID 63380721
CID 63380760
CID 63380760
CID 63380761
CID 63380761
CID 63380949
CID 63380949
CID 63380950
CID 63380950
CID 63380951
CID 63380951
CID 63380958
CID 63380958
CID 63380999
CID 63380999
CID 63381001
CID 63381001

Frequently Asked Questions

What is the IUPAC name of 1-(propylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol?
The IUPAC name of 1-(propylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol (CID 63381000) is 1-(propylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(propylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol?
The canonical SMILES for 1-(propylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol is CCCNCC(O)CSc1cnccn1.
What is the InChIKey of 1-(propylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol?
The InChIKey is NXPVVQMEMCRPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-2-3-11-6-9(14)8-15-10-7-12-4-5-13-10/h4-5,7,9,11,14H,2-3,6,8H2,1H3.
What are the key properties of 1-(propylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol?
1-(propylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol has a molecular weight of 227.33 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol is sourced from PubChem (CID 63381000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).