ethyl 4-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylpiperazine-1-carboxylate

C11H15N7O2 — CID 3716660

IUPACethyl 4-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nnc3nccn3n2)CC1
InChIInChI=1S/C11H15N7O2/c1-2-20-11(19)17-7-5-16(6-8-17)10-14-13-9-12-3-4-18(9)15-10/h3-4H,2,5-8H2,1H3
InChIKeyHATWIEHLOJGILF-UHFFFAOYSA-N
MW277.29 g/mol
LogP-0.20
Rot. Bonds2

About ethyl 4-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylpiperazine-1-carboxylate

ethyl 4-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylpiperazine-1-carboxylate (PubChem CID 3716660) has the molecular formula C11H15N7O2 and a molecular weight of 277.29 g/mol. Its IUPAC name is ethyl 4-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylpiperazine-1-carboxylate
PubChem CID3716660
Molecular FormulaC11H15N7O2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Nameethyl 4-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nnc3nccn3n2)CC1
InChIInChI=1S/C11H15N7O2/c1-2-20-11(19)17-7-5-16(6-8-17)10-14-13-9-12-3-4-18(9)15-10/h3-4H,2,5-8H2,1H3
InChIKeyHATWIEHLOJGILF-UHFFFAOYSA-N
XLogP-0.20
TPSA88.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazine-1-carboxylate
CID 108531691
ethyl 4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112897882
ethyl 4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 155980463
ethyl 4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112862923
ethyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate
CID 103633734
ethyl 4-[4-(4-methylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 109302237
ethyl 4-[4-(piperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 109298454
ethyl 4-(5-bromo-4-methoxypyrimidin-2-yl)piperazine-1-carboxylate
CID 103726594
ethyl 4-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperazine-1-carboxylate
CID 146042304
ethyl 4-[4-(4-ethylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 109302562
ethyl 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate
CID 107877533
ethyl 4-[4-(2-methylpropylamino)pyrimidin-2-yl]piperazine-1-carboxylate
CID 112883198

Frequently Asked Questions

What is the IUPAC name of ethyl 4-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylpiperazine-1-carboxylate (CID 3716660) is ethyl 4-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylpiperazine-1-carboxylate is CCOC(=O)N1CCN(c2nnc3nccn3n2)CC1.
What is the InChIKey of ethyl 4-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylpiperazine-1-carboxylate?
The InChIKey is HATWIEHLOJGILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O2/c1-2-20-11(19)17-7-5-16(6-8-17)10-14-13-9-12-3-4-18(9)15-10/h3-4H,2,5-8H2,1H3.
What are the key properties of ethyl 4-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylpiperazine-1-carboxylate?
ethyl 4-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylpiperazine-1-carboxylate has a molecular weight of 277.29 g/mol, XLogP of -0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylpiperazine-1-carboxylate is sourced from PubChem (CID 3716660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).