tert-butyl 4-(1-ethyl-6-oxopyridazin-3-yl)piperazine-1-carboxylate

C15H24N4O3 — CID 163353157

IUPACtert-butyl 4-(1-ethyl-6-oxopyridazin-3-yl)piperazine-1-carboxylate
SMILESCCn1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1=O
InChIInChI=1S/C15H24N4O3/c1-5-19-13(20)7-6-12(16-19)17-8-10-18(11-9-17)14(21)22-15(2,3)4/h6-7H,5,8-11H2,1-4H3
InChIKeyVXCGEYHBCMDTJZ-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.32
Rot. Bonds2

About tert-butyl 4-(1-ethyl-6-oxopyridazin-3-yl)piperazine-1-carboxylate

tert-butyl 4-(1-ethyl-6-oxopyridazin-3-yl)piperazine-1-carboxylate (PubChem CID 163353157) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl 4-(1-ethyl-6-oxopyridazin-3-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-ethyl-6-oxopyridazin-3-yl)piperazine-1-carboxylate
PubChem CID163353157
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Nametert-butyl 4-(1-ethyl-6-oxopyridazin-3-yl)piperazine-1-carboxylate
SMILESCCn1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1=O
InChIInChI=1S/C15H24N4O3/c1-5-19-13(20)7-6-12(16-19)17-8-10-18(11-9-17)14(21)22-15(2,3)4/h6-7H,5,8-11H2,1-4H3
InChIKeyVXCGEYHBCMDTJZ-UHFFFAOYSA-N
XLogP1.32
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-(1-methylpyrazol-3-yl)piperazine-1-carboxylate
CID 145108987
tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 4-(5-formyl-2-pyridinyl)piperazine-1-carboxylate;hydrochloride
CID 175531305
tert-butyl 4-(6-ethynylpyridazin-3-yl)piperazine-1-carboxylate
CID 99978985
tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 86690166
tert-butyl 4-[5-(difluoromethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 67284193
tert-butyl 4-[5-(hydroxyamino)-2-pyridinyl]piperazine-1-carboxylate
CID 143289183
tert-butyl 4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxylate
CID 102033866
tert-butyl 4-[5-[(Z)-hydroxyiminomethyl]-2-pyridinyl]piperazine-1-carboxylate
CID 124502961
tert-butyl 4-[2-ethyl-3-(methylamino)imidazo[1,2-b]pyridazin-6-yl]-1,4-diazepane-1-carboxylate
CID 126689939
tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;2,6-dichloropyrazine
CID 87578550
2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-4-carboxylic acid
CID 169299170

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-ethyl-6-oxopyridazin-3-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-ethyl-6-oxopyridazin-3-yl)piperazine-1-carboxylate (CID 163353157) is tert-butyl 4-(1-ethyl-6-oxopyridazin-3-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-ethyl-6-oxopyridazin-3-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-ethyl-6-oxopyridazin-3-yl)piperazine-1-carboxylate is CCn1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1=O.
What is the InChIKey of tert-butyl 4-(1-ethyl-6-oxopyridazin-3-yl)piperazine-1-carboxylate?
The InChIKey is VXCGEYHBCMDTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-5-19-13(20)7-6-12(16-19)17-8-10-18(11-9-17)14(21)22-15(2,3)4/h6-7H,5,8-11H2,1-4H3.
What are the key properties of tert-butyl 4-(1-ethyl-6-oxopyridazin-3-yl)piperazine-1-carboxylate?
tert-butyl 4-(1-ethyl-6-oxopyridazin-3-yl)piperazine-1-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-ethyl-6-oxopyridazin-3-yl)piperazine-1-carboxylate is sourced from PubChem (CID 163353157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).