N-tert-butyl-3-pyridazin-3-ylpiperazin-1-amine

C12H21N5 — CID 23184535

IUPACN-tert-butyl-3-pyridazin-3-ylpiperazin-1-amine
SMILESCC(C)(C)NN1CCNC(c2cccnn2)C1
InChIInChI=1S/C12H21N5/c1-12(2,3)16-17-8-7-13-11(9-17)10-5-4-6-14-15-10/h4-6,11,13,16H,7-9H2,1-3H3
InChIKeyFPSUWDXIJNGZKQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.73
Rot. Bonds2

About N-tert-butyl-3-pyridazin-3-ylpiperazin-1-amine

N-tert-butyl-3-pyridazin-3-ylpiperazin-1-amine (PubChem CID 23184535) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-tert-butyl-3-pyridazin-3-ylpiperazin-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-pyridazin-3-ylpiperazin-1-amine
PubChem CID23184535
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC NameN-tert-butyl-3-pyridazin-3-ylpiperazin-1-amine
SMILESCC(C)(C)NN1CCNC(c2cccnn2)C1
InChIInChI=1S/C12H21N5/c1-12(2,3)16-17-8-7-13-11(9-17)10-5-4-6-14-15-10/h4-6,11,13,16H,7-9H2,1-3H3
InChIKeyFPSUWDXIJNGZKQ-UHFFFAOYSA-N
XLogP0.73
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylpyrrolidin-3-yl)pyridazine
CID 117105038
3-[(3S)-3-methylpiperazin-1-yl]pyridazine
CID 94453251
3-cyclopentylpyridazine
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(3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 68719907
3-[(3-butan-2-ylpiperazin-1-yl)methyl]pyridazine
CID 106897929
tert-butyl 5-(2-methoxycarbonyl-3-pyridinyl)-1,4-diazepane-1-carboxylate
CID 170904014
2-(4-methylpiperazin-2-yl)-1,3-oxazole
CID 69278640
N-[4-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]phenyl]-3-pyridazin-3-ylazetidine-1-carboxamide
CID 90011389
tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate
CID 129411647
1-chloro-3-phenylpiperazine
CID 18428014
2-(1-ethylimidazolidin-2-yl)pyridine
CID 148653618
(3R)-N-methyl-1-pyridazin-3-ylpyrrolidin-3-amine
CID 177337485

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-pyridazin-3-ylpiperazin-1-amine?
The IUPAC name of N-tert-butyl-3-pyridazin-3-ylpiperazin-1-amine (CID 23184535) is N-tert-butyl-3-pyridazin-3-ylpiperazin-1-amine.
What is the SMILES notation for N-tert-butyl-3-pyridazin-3-ylpiperazin-1-amine?
The canonical SMILES for N-tert-butyl-3-pyridazin-3-ylpiperazin-1-amine is CC(C)(C)NN1CCNC(c2cccnn2)C1.
What is the InChIKey of N-tert-butyl-3-pyridazin-3-ylpiperazin-1-amine?
The InChIKey is FPSUWDXIJNGZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-12(2,3)16-17-8-7-13-11(9-17)10-5-4-6-14-15-10/h4-6,11,13,16H,7-9H2,1-3H3.
What are the key properties of N-tert-butyl-3-pyridazin-3-ylpiperazin-1-amine?
N-tert-butyl-3-pyridazin-3-ylpiperazin-1-amine has a molecular weight of 235.33 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-pyridazin-3-ylpiperazin-1-amine is sourced from PubChem (CID 23184535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).