3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyrazine-2-carboxylic acid

C10H15N3O3S — CID 106162775

IUPAC3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyrazine-2-carboxylic acid
SMILESCSC(CO)C(C)Nc1nccnc1C(=O)O
InChIInChI=1S/C10H15N3O3S/c1-6(7(5-14)17-2)13-9-8(10(15)16)11-3-4-12-9/h3-4,6-7,14H,5H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyVVVMRJHFSVFNDD-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.70
Rot. Bonds6

About 3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyrazine-2-carboxylic acid

3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyrazine-2-carboxylic acid (PubChem CID 106162775) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyrazine-2-carboxylic acid
PubChem CID106162775
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyrazine-2-carboxylic acid
SMILESCSC(CO)C(C)Nc1nccnc1C(=O)O
InChIInChI=1S/C10H15N3O3S/c1-6(7(5-14)17-2)13-9-8(10(15)16)11-3-4-12-9/h3-4,6-7,14H,5H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyVVVMRJHFSVFNDD-UHFFFAOYSA-N
XLogP0.70
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 106161995
3-(1-hydroxypropan-2-ylamino)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167881120
3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid
CID 106197957
3-(2-methylpentan-3-ylamino)pyrazine-2-carboxylic acid
CID 62709321
4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]quinazoline-7-carboxylic acid
CID 106161960
2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 106162770
1-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]isoquinoline-3-carboxylic acid
CID 106161974
3-(hexan-2-ylamino)pyrazine-2-carboxylic acid
CID 62711324
6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-2-methylpyridine-3-carboxylic acid
CID 106161963
4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136901139
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163694
2-chloro-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 114152086

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyrazine-2-carboxylic acid (CID 106162775) is 3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyrazine-2-carboxylic acid is CSC(CO)C(C)Nc1nccnc1C(=O)O.
What is the InChIKey of 3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyrazine-2-carboxylic acid?
The InChIKey is VVVMRJHFSVFNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-6(7(5-14)17-2)13-9-8(10(15)16)11-3-4-12-9/h3-4,6-7,14H,5H2,1-2H3,(H,12,13)(H,15,16).
What are the key properties of 3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyrazine-2-carboxylic acid?
3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyrazine-2-carboxylic acid has a molecular weight of 257.31 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 106162775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).