8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine

C26H30N14S2 — CID 160959097

IUPAC8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine
SMILESCN1CCN(c2ncc(-c3cccs3)n3nnnc23)CC1.CN1CCN(c2ncc(-c3cccs3)n3nnnc23)CC1
InChIInChI=1S/2C13H15N7S/c2*1-18-4-6-19(7-5-18)12-13-15-16-17-20(13)10(9-14-12)11-3-2-8-21-11/h2*2-3,8-9H,4-7H2,1H3
InChIKeySWTZHPVGKGTWLL-UHFFFAOYSA-N
MW602.76 g/mol
LogP2.00
Rot. Bonds4

About 8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine

8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine (PubChem CID 160959097) has the molecular formula C26H30N14S2 and a molecular weight of 602.76 g/mol. Its IUPAC name is 8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine
PubChem CID160959097
Molecular FormulaC26H30N14S2
Molecular Weight602.76 g/mol
Exact Mass602.22
IUPAC Name8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine
SMILESCN1CCN(c2ncc(-c3cccs3)n3nnnc23)CC1.CN1CCN(c2ncc(-c3cccs3)n3nnnc23)CC1
InChIInChI=1S/2C13H15N7S/c2*1-18-4-6-19(7-5-18)12-13-15-16-17-20(13)10(9-14-12)11-3-2-8-21-11/h2*2-3,8-9H,4-7H2,1H3
InChIKeySWTZHPVGKGTWLL-UHFFFAOYSA-N
XLogP2.00
TPSA124.90 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.76
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine with MolForge

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

Launch Full Analysis

Related Compounds

5,8-Dimethyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53236526
5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 71450204
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250350
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53250503
5-Methyl-2-[2-(4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67258155
7-[4-(Thiophen-2-ylmethyl)piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 10689158
2-Thiophen-2-yl-3-[[4-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 122183059
6-(4-Methylpiperazin-1-yl)-3-pyridin-4-yl-2-(3-thiophen-2-ylphenyl)imidazo[1,2-b]pyridazine
CID 127035764
6-(4-Methylpiperazin-1-yl)-3-pyridin-4-yl-2-(3-thiophen-3-ylphenyl)imidazo[1,2-b]pyridazine
CID 127035765
5-Propylsulfanyl-7-pyridin-2-ylsulfanyl-3-(2-thiophen-2-ylethyl)triazolo[4,5-d]pyrimidine
CID 137631867
US9096589, 5-Methyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250193
US9096589, 8-Methyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250194

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine?
The IUPAC name of 8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine (CID 160959097) is 8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine?
The canonical SMILES for 8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine is CN1CCN(c2ncc(-c3cccs3)n3nnnc23)CC1.CN1CCN(c2ncc(-c3cccs3)n3nnnc23)CC1.
What is the InChIKey of 8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine?
The InChIKey is SWTZHPVGKGTWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15N7S/c2*1-18-4-6-19(7-5-18)12-13-15-16-17-20(13)10(9-14-12)11-3-2-8-21-11/h2*2-3,8-9H,4-7H2,1H3.
What are the key properties of 8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine?
8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine has a molecular weight of 602.76 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylpiperazin-1-yl)-5-thiophen-2-yltetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 160959097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).