tert-butyl 4-(5,6-dimethylpyridazin-3-yl)piperazine-1-carboxylate;ethane

C17H30N4O2 — CID 143735501

IUPACtert-butyl 4-(5,6-dimethylpyridazin-3-yl)piperazine-1-carboxylate;ethane
SMILESCC.Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)nnc1C
InChIInChI=1S/C15H24N4O2.C2H6/c1-11-10-13(17-16-12(11)2)18-6-8-19(9-7-18)14(20)21-15(3,4)5;1-2/h10H,6-9H2,1-5H3;1-2H3
InChIKeySAKXKCZGUSJHAM-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.18
Rot. Bonds1

About tert-butyl 4-(5,6-dimethylpyridazin-3-yl)piperazine-1-carboxylate;ethane

tert-butyl 4-(5,6-dimethylpyridazin-3-yl)piperazine-1-carboxylate;ethane (PubChem CID 143735501) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl 4-(5,6-dimethylpyridazin-3-yl)piperazine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 4-(5,6-dimethylpyridazin-3-yl)piperazine-1-carboxylate;ethane
PubChem CID143735501
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Nametert-butyl 4-(5,6-dimethylpyridazin-3-yl)piperazine-1-carboxylate;ethane
SMILESCC.Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)nnc1C
InChIInChI=1S/C15H24N4O2.C2H6/c1-11-10-13(17-16-12(11)2)18-6-8-19(9-7-18)14(20)21-15(3,4)5;1-2/h10H,6-9H2,1-5H3;1-2H3
InChIKeySAKXKCZGUSJHAM-UHFFFAOYSA-N
XLogP3.18
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 4-[5-(1-hydroxypropyl)-4-methyl-2-pyridinyl]piperazine-1-carboxylate
CID 102545634
tert-butyl 4-[1-(3-amino-6-methylpyridazin-4-yl)-3-methylpyrazol-4-yl]piperazine-1-carboxylate
CID 170625025
tert-butyl 4-(6-ethynylpyridazin-3-yl)piperazine-1-carboxylate
CID 99978985
tert-butyl 4-(4-ethynyl-5-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 175400380
tert-butyl 4-(1-methylpyrazol-3-yl)piperazine-1-carboxylate
CID 145108987
tert-butyl 4-(6-tert-butylpyrimidin-4-yl)piperazine-1-carboxylate
CID 126850013
2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-4-carboxylic acid
CID 169299170
tert-butyl 4-[5-(trifluoromethyl)pyridazin-3-yl]piperazine-1-carboxylate;3-chloro-5-(trifluoromethyl)pyridazine
CID 159943252
tert-butyl 4-(6-iodopyridazin-3-yl)piperazine-1-carboxylate;3-chloro-6-iodopyridazine
CID 161346110
tert-butyl 4-[6-(N'-hydroxycarbamimidoyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 175623819
CID 178002085
CID 178002085

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5,6-dimethylpyridazin-3-yl)piperazine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 4-(5,6-dimethylpyridazin-3-yl)piperazine-1-carboxylate;ethane (CID 143735501) is tert-butyl 4-(5,6-dimethylpyridazin-3-yl)piperazine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 4-(5,6-dimethylpyridazin-3-yl)piperazine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 4-(5,6-dimethylpyridazin-3-yl)piperazine-1-carboxylate;ethane is CC.Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)nnc1C.
What is the InChIKey of tert-butyl 4-(5,6-dimethylpyridazin-3-yl)piperazine-1-carboxylate;ethane?
The InChIKey is SAKXKCZGUSJHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2.C2H6/c1-11-10-13(17-16-12(11)2)18-6-8-19(9-7-18)14(20)21-15(3,4)5;1-2/h10H,6-9H2,1-5H3;1-2H3.
What are the key properties of tert-butyl 4-(5,6-dimethylpyridazin-3-yl)piperazine-1-carboxylate;ethane?
tert-butyl 4-(5,6-dimethylpyridazin-3-yl)piperazine-1-carboxylate;ethane has a molecular weight of 322.45 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5,6-dimethylpyridazin-3-yl)piperazine-1-carboxylate;ethane is sourced from PubChem (CID 143735501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).