ethyl 4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazine-1-carboxylate

C11H15N7O2 — CID 779394

IUPACethyl 4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C11H15N7O2/c1-2-20-11(19)17-7-5-16(6-8-17)10-4-3-9-12-14-15-18(9)13-10/h3-4H,2,5-8H2,1H3
InChIKeyGXLWLENFEZYEDV-UHFFFAOYSA-N
MW277.29 g/mol
LogP-0.20
Rot. Bonds2

About ethyl 4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazine-1-carboxylate

ethyl 4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazine-1-carboxylate (PubChem CID 779394) has the molecular formula C11H15N7O2 and a molecular weight of 277.29 g/mol. Its IUPAC name is ethyl 4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazine-1-carboxylate
PubChem CID779394
Molecular FormulaC11H15N7O2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Nameethyl 4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C11H15N7O2/c1-2-20-11(19)17-7-5-16(6-8-17)10-4-3-9-12-14-15-18(9)13-10/h3-4H,2,5-8H2,1H3
InChIKeyGXLWLENFEZYEDV-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

Piperazine-1-carboxylic acid, 4-(3-trifluoromethyl-1,2,4-triazolo[4,3-b]pyridazin-6-yl)-, ethyl ester
CID 631256
2,6-Dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine
CID 17439715
Methyl 4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxylate
CID 134797037
1-[4-(Tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]ethanone
CID 16229254
2-(4-(Tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl)ethan-1-ol
CID 17563818
(2S)-2-ethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine
CID 31408913
6-(4-Propan-2-ylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine
CID 33995928
Ethyl 2-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]acetate
CID 71683356
Ethyl 4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carboxylate
CID 134310570
Ethyl 4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxylate
CID 29182468
Tetrazolo[1,5-b]pyridazine, 6-(4-morpholinyl)-
CID 5305232
Ethyl 4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carboxylate
CID 133365998

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazine-1-carboxylate (CID 779394) is ethyl 4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccc3nnnn3n2)CC1.
What is the InChIKey of ethyl 4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazine-1-carboxylate?
The InChIKey is GXLWLENFEZYEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O2/c1-2-20-11(19)17-7-5-16(6-8-17)10-4-3-9-12-14-15-18(9)13-10/h3-4H,2,5-8H2,1H3.
What are the key properties of ethyl 4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazine-1-carboxylate?
ethyl 4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazine-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-(tetrazolo[1,5-b]pyridazin-6-yl)piperazine-1-carboxylate is sourced from PubChem (CID 779394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).