3-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine

C12H17N5S — CID 106678525

IUPAC3-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine
SMILESCCC(C)n1ccc(CSc2nccnc2N)n1
InChIInChI=1S/C12H17N5S/c1-3-9(2)17-7-4-10(16-17)8-18-12-11(13)14-5-6-15-12/h4-7,9H,3,8H2,1-2H3,(H2,13,14)
InChIKeyIWXNAZBBSYCDHC-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.52
Rot. Bonds5

About 3-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine

3-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine (PubChem CID 106678525) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 3-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine
PubChem CID106678525
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name3-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine
SMILESCCC(C)n1ccc(CSc2nccnc2N)n1
InChIInChI=1S/C12H17N5S/c1-3-9(2)17-7-4-10(16-17)8-18-12-11(13)14-5-6-15-12/h4-7,9H,3,8H2,1-2H3,(H2,13,14)
InChIKeyIWXNAZBBSYCDHC-UHFFFAOYSA-N
XLogP2.52
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1-methylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine
CID 106679130
4-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine
CID 64784161
3-[(1-butan-2-ylpyrazol-3-yl)methyl]pyridin-2-amine
CID 64777550
1-[4-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]phenyl]ethanone
CID 64776983
1-[3-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]phenyl]ethanamine
CID 64777752
1-[4-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]phenyl]-N-methylethanamine
CID 64777561
1-[(2S)-butan-2-yl]pyrazol-3-amine
CID 28841775
2-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]-3H-benzimidazol-5-amine
CID 64777268
3-(pyridin-2-ylmethylsulfanyl)pyrazin-2-amine
CID 106679150
2-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 64783969
1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol
CID 64785469
1-(1-butan-2-ylpyrazol-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135172

Frequently Asked Questions

What is the IUPAC name of 3-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine?
The IUPAC name of 3-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine (CID 106678525) is 3-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine.
What is the SMILES notation for 3-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine?
The canonical SMILES for 3-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine is CCC(C)n1ccc(CSc2nccnc2N)n1.
What is the InChIKey of 3-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine?
The InChIKey is IWXNAZBBSYCDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-3-9(2)17-7-4-10(16-17)8-18-12-11(13)14-5-6-15-12/h4-7,9H,3,8H2,1-2H3,(H2,13,14).
What are the key properties of 3-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine?
3-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine has a molecular weight of 263.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine is sourced from PubChem (CID 106678525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).