3-[(2S)-thiolan-2-yl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C14H15N5S2 — CID 130226439

IUPAC3-[(2S)-thiolan-2-yl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESc1csc(CNc2nccn3c([C@@H]4CCCS4)nnc23)c1
InChIInChI=1S/C14H15N5S2/c1-3-10(20-7-1)9-16-12-14-18-17-13(11-4-2-8-21-11)19(14)6-5-15-12/h1,3,5-7,11H,2,4,8-9H2,(H,15,16)/t11-/m0/s1
InChIKeyMEVMXBHQPKNCJI-NSHDSACASA-N
MW317.44 g/mol
LogP3.37
Rot. Bonds4

About 3-[(2S)-thiolan-2-yl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-[(2S)-thiolan-2-yl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 130226439) has the molecular formula C14H15N5S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 3-[(2S)-thiolan-2-yl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[(2S)-thiolan-2-yl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID130226439
Molecular FormulaC14H15N5S2
Molecular Weight317.44 g/mol
Exact Mass317.08
IUPAC Name3-[(2S)-thiolan-2-yl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESc1csc(CNc2nccn3c([C@@H]4CCCS4)nnc23)c1
InChIInChI=1S/C14H15N5S2/c1-3-10(20-7-1)9-16-12-14-18-17-13(11-4-2-8-21-11)19(14)6-5-15-12/h1,3,5-7,11H,2,4,8-9H2,(H,15,16)/t11-/m0/s1
InChIKeyMEVMXBHQPKNCJI-NSHDSACASA-N
XLogP3.37
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-thiolan-2-yl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-[(2S)-thiolan-2-yl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 130226439) is 3-[(2S)-thiolan-2-yl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-[(2S)-thiolan-2-yl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-[(2S)-thiolan-2-yl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is c1csc(CNc2nccn3c([C@@H]4CCCS4)nnc23)c1.
What is the InChIKey of 3-[(2S)-thiolan-2-yl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is MEVMXBHQPKNCJI-NSHDSACASA-N. The full InChI is InChI=1S/C14H15N5S2/c1-3-10(20-7-1)9-16-12-14-18-17-13(11-4-2-8-21-11)19(14)6-5-15-12/h1,3,5-7,11H,2,4,8-9H2,(H,15,16)/t11-/m0/s1.
What are the key properties of 3-[(2S)-thiolan-2-yl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-[(2S)-thiolan-2-yl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 317.44 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-thiolan-2-yl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 130226439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).