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

C7H11N3OS — CID 63380949

IUPAC1-amino-3-pyrazin-2-ylsulfanylpropan-2-ol
SMILESNCC(O)CSc1cnccn1
InChIInChI=1S/C7H11N3OS/c8-3-6(11)5-12-7-4-9-1-2-10-7/h1-2,4,6,11H,3,5,8H2
InChIKeyNGQAJQWWOSRWMM-UHFFFAOYSA-N
MW185.25 g/mol
LogP-0.11
Rot. Bonds4

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

1-amino-3-pyrazin-2-ylsulfanylpropan-2-ol (PubChem CID 63380949) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 1-amino-3-pyrazin-2-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-pyrazin-2-ylsulfanylpropan-2-ol
PubChem CID63380949
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name1-amino-3-pyrazin-2-ylsulfanylpropan-2-ol
SMILESNCC(O)CSc1cnccn1
InChIInChI=1S/C7H11N3OS/c8-3-6(11)5-12-7-4-9-1-2-10-7/h1-2,4,6,11H,3,5,8H2
InChIKeyNGQAJQWWOSRWMM-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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Related Compounds

CID 63900439
CID 63900439
CID 165787014
CID 165787014
CID 10536106
CID 10536106
CID 10797639
CID 10797639
CID 43384941
CID 43384941
CID 63380503
CID 63380503
CID 63380715
CID 63380715
CID 63380716
CID 63380716
CID 63380717
CID 63380717
CID 63380721
CID 63380721
CID 63380760
CID 63380760
CID 63380761
CID 63380761

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-pyrazin-2-ylsulfanylpropan-2-ol?
The IUPAC name of 1-amino-3-pyrazin-2-ylsulfanylpropan-2-ol (CID 63380949) is 1-amino-3-pyrazin-2-ylsulfanylpropan-2-ol.
What is the SMILES notation for 1-amino-3-pyrazin-2-ylsulfanylpropan-2-ol?
The canonical SMILES for 1-amino-3-pyrazin-2-ylsulfanylpropan-2-ol is NCC(O)CSc1cnccn1.
What is the InChIKey of 1-amino-3-pyrazin-2-ylsulfanylpropan-2-ol?
The InChIKey is NGQAJQWWOSRWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c8-3-6(11)5-12-7-4-9-1-2-10-7/h1-2,4,6,11H,3,5,8H2.
What are the key properties of 1-amino-3-pyrazin-2-ylsulfanylpropan-2-ol?
1-amino-3-pyrazin-2-ylsulfanylpropan-2-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 1-amino-3-pyrazin-2-ylsulfanylpropan-2-ol is sourced from PubChem (CID 63380949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).