8-piperazin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine

C12H13N7S — CID 58446967

IUPAC8-piperazin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine
SMILESc1cc(-c2cnc(N3CCNCC3)c3nnnn23)cs1
InChIInChI=1S/C12H13N7S/c1-6-20-8-9(1)10-7-14-11(12-15-16-17-19(10)12)18-4-2-13-3-5-18/h1,6-8,13H,2-5H2
InChIKeyPCFZYJDGXBCOBP-UHFFFAOYSA-N
MW287.35 g/mol
LogP0.66
Rot. Bonds2

About 8-piperazin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine

8-piperazin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine (PubChem CID 58446967) has the molecular formula C12H13N7S and a molecular weight of 287.35 g/mol. Its IUPAC name is 8-piperazin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name8-piperazin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine
PubChem CID58446967
Molecular FormulaC12H13N7S
Molecular Weight287.35 g/mol
Exact Mass287.10
IUPAC Name8-piperazin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine
SMILESc1cc(-c2cnc(N3CCNCC3)c3nnnn23)cs1
InChIInChI=1S/C12H13N7S/c1-6-20-8-9(1)10-7-14-11(12-15-16-17-19(10)12)18-4-2-13-3-5-18/h1,6-8,13H,2-5H2
InChIKeyPCFZYJDGXBCOBP-UHFFFAOYSA-N
XLogP0.66
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

8-piperazin-1-yl-5-thiophen-3-ylimidazo[1,2-a]pyrazine
CID 58446975
2-piperazin-1-yl-6-thiophen-3-ylpyrazine
CID 18186921
5-piperazin-1-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridine
CID 24734609
2-piperazin-1-yl-4-thiophen-3-yl-1,3,5-triazine
CID 67388017
3,5-dibromo-8-piperazin-1-ylimidazo[1,2-a]pyrazine
CID 10316512
8-chloro-7-fluoro-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline
CID 58475567
2-piperazin-1-yl-3-(2-thiophen-3-yloxyethoxy)pyrazine
CID 22036428
8-chloro-7-fluoro-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;hydrochloride
CID 66686703
7-chloro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline
CID 58475763
5-piperazin-1-yltetrazolo[1,5-a]pyrazine;dihydrochloride
CID 146049763
2-piperazin-1-yl-5-(trifluoromethyl)pyridin-3-amine
CID 83778730
N-cyclopropyl-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221608

Frequently Asked Questions

What is the IUPAC name of 8-piperazin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine?
The IUPAC name of 8-piperazin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine (CID 58446967) is 8-piperazin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 8-piperazin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine?
The canonical SMILES for 8-piperazin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine is c1cc(-c2cnc(N3CCNCC3)c3nnnn23)cs1.
What is the InChIKey of 8-piperazin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine?
The InChIKey is PCFZYJDGXBCOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7S/c1-6-20-8-9(1)10-7-14-11(12-15-16-17-19(10)12)18-4-2-13-3-5-18/h1,6-8,13H,2-5H2.
What are the key properties of 8-piperazin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine?
8-piperazin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine has a molecular weight of 287.35 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-piperazin-1-yl-5-thiophen-3-yltetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 58446967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).