3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;sulfane

C11H18N6S — CID 158013937

IUPAC3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;sulfane
SMILESC[C@H]1CCCCN1c1nnc2c(N)nccn12.S
InChIInChI=1S/C11H16N6.H2S/c1-8-4-2-3-6-16(8)11-15-14-10-9(12)13-5-7-17(10)11;/h5,7-8H,2-4,6H2,1H3,(H2,12,13);1H2/t8-;/m0./s1
InChIKeyFFFQFTHYGOZOMU-QRPNPIFTSA-N
MW266.37 g/mol
LogP1.20
Rot. Bonds1

About 3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;sulfane

3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;sulfane (PubChem CID 158013937) has the molecular formula C11H18N6S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;sulfane.

Molecular Properties

Compound Name3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;sulfane
PubChem CID158013937
Molecular FormulaC11H18N6S
Molecular Weight266.37 g/mol
Exact Mass266.13
IUPAC Name3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;sulfane
SMILESC[C@H]1CCCCN1c1nnc2c(N)nccn12.S
InChIInChI=1S/C11H16N6.H2S/c1-8-4-2-3-6-16(8)11-15-14-10-9(12)13-5-7-17(10)11;/h5,7-8H,2-4,6H2,1H3,(H2,12,13);1H2/t8-;/m0./s1
InChIKeyFFFQFTHYGOZOMU-QRPNPIFTSA-N
XLogP1.20
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;sulfane?
The IUPAC name of 3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;sulfane (CID 158013937) is 3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;sulfane.
What is the SMILES notation for 3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;sulfane?
The canonical SMILES for 3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;sulfane is C[C@H]1CCCCN1c1nnc2c(N)nccn12.S.
What is the InChIKey of 3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;sulfane?
The InChIKey is FFFQFTHYGOZOMU-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H16N6.H2S/c1-8-4-2-3-6-16(8)11-15-14-10-9(12)13-5-7-17(10)11;/h5,7-8H,2-4,6H2,1H3,(H2,12,13);1H2/t8-;/m0./s1.
What are the key properties of 3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;sulfane?
3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;sulfane has a molecular weight of 266.37 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;sulfane is sourced from PubChem (CID 158013937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).