3-methyl-1-(5-thieno[3,2-b]thiophen-5-yl-1H-1,2,4-triazol-3-yl)piperazine

C13H15N5S2 — CID 102798513

IUPAC3-methyl-1-(5-thieno[3,2-b]thiophen-5-yl-1H-1,2,4-triazol-3-yl)piperazine
SMILESCC1CN(c2n[nH]c(-c3cc4sccc4s3)n2)CCN1
InChIInChI=1S/C13H15N5S2/c1-8-7-18(4-3-14-8)13-15-12(16-17-13)11-6-10-9(20-11)2-5-19-10/h2,5-6,8,14H,3-4,7H2,1H3,(H,15,16,17)
InChIKeyPQWSROVEKHRSBV-UHFFFAOYSA-N
MW305.43 g/mol
LogP2.55
Rot. Bonds2

About 3-methyl-1-(5-thieno[3,2-b]thiophen-5-yl-1H-1,2,4-triazol-3-yl)piperazine

3-methyl-1-(5-thieno[3,2-b]thiophen-5-yl-1H-1,2,4-triazol-3-yl)piperazine (PubChem CID 102798513) has the molecular formula C13H15N5S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 3-methyl-1-(5-thieno[3,2-b]thiophen-5-yl-1H-1,2,4-triazol-3-yl)piperazine.

Molecular Properties

Compound Name3-methyl-1-(5-thieno[3,2-b]thiophen-5-yl-1H-1,2,4-triazol-3-yl)piperazine
PubChem CID102798513
Molecular FormulaC13H15N5S2
Molecular Weight305.43 g/mol
Exact Mass305.08
IUPAC Name3-methyl-1-(5-thieno[3,2-b]thiophen-5-yl-1H-1,2,4-triazol-3-yl)piperazine
SMILESCC1CN(c2n[nH]c(-c3cc4sccc4s3)n2)CCN1
InChIInChI=1S/C13H15N5S2/c1-8-7-18(4-3-14-8)13-15-12(16-17-13)11-6-10-9(20-11)2-5-19-10/h2,5-6,8,14H,3-4,7H2,1H3,(H,15,16,17)
InChIKeyPQWSROVEKHRSBV-UHFFFAOYSA-N
XLogP2.55
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methyl-1-(5-thieno[3,2-b]thiophen-5-yl-1H-1,2,4-triazol-3-yl)piperazine with MolForge

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Related Compounds

(3S)-1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797993
2-methyl-5-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole
CID 114031043
(3S)-1-[5-(3-methoxythiophen-2-yl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797886
1-[5-(2,5-dibromophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798280
1-[5-(2,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798290
1-[5-(3,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798340
1-[5-(3,4-dimethylphenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798298
4-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiadiazole
CID 102798259
4-chloro-3-[3-[(3S)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]phenol
CID 106500957
(3R)-1-[5-(2-bromo-5-fluorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797662
1-[5-(2,6-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798501
(3S)-3-methyl-1-[5-(3,4,5-trifluorophenyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798133

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-thieno[3,2-b]thiophen-5-yl-1H-1,2,4-triazol-3-yl)piperazine?
The IUPAC name of 3-methyl-1-(5-thieno[3,2-b]thiophen-5-yl-1H-1,2,4-triazol-3-yl)piperazine (CID 102798513) is 3-methyl-1-(5-thieno[3,2-b]thiophen-5-yl-1H-1,2,4-triazol-3-yl)piperazine.
What is the SMILES notation for 3-methyl-1-(5-thieno[3,2-b]thiophen-5-yl-1H-1,2,4-triazol-3-yl)piperazine?
The canonical SMILES for 3-methyl-1-(5-thieno[3,2-b]thiophen-5-yl-1H-1,2,4-triazol-3-yl)piperazine is CC1CN(c2n[nH]c(-c3cc4sccc4s3)n2)CCN1.
What is the InChIKey of 3-methyl-1-(5-thieno[3,2-b]thiophen-5-yl-1H-1,2,4-triazol-3-yl)piperazine?
The InChIKey is PQWSROVEKHRSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S2/c1-8-7-18(4-3-14-8)13-15-12(16-17-13)11-6-10-9(20-11)2-5-19-10/h2,5-6,8,14H,3-4,7H2,1H3,(H,15,16,17).
What are the key properties of 3-methyl-1-(5-thieno[3,2-b]thiophen-5-yl-1H-1,2,4-triazol-3-yl)piperazine?
3-methyl-1-(5-thieno[3,2-b]thiophen-5-yl-1H-1,2,4-triazol-3-yl)piperazine has a molecular weight of 305.43 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-thieno[3,2-b]thiophen-5-yl-1H-1,2,4-triazol-3-yl)piperazine is sourced from PubChem (CID 102798513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).