ethane;5-methyl-6-piperidin-4-ylpyridazin-3-amine

C12H22N4 — CID 142566799

IUPACethane;5-methyl-6-piperidin-4-ylpyridazin-3-amine
SMILESCC.Cc1cc(N)nnc1C1CCNCC1
InChIInChI=1S/C10H16N4.C2H6/c1-7-6-9(11)13-14-10(7)8-2-4-12-5-3-8;1-2/h6,8,12H,2-5H2,1H3,(H2,11,13);1-2H3
InChIKeyVWHUGDNQMCJZMW-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.86
Rot. Bonds1

About ethane;5-methyl-6-piperidin-4-ylpyridazin-3-amine

ethane;5-methyl-6-piperidin-4-ylpyridazin-3-amine (PubChem CID 142566799) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is ethane;5-methyl-6-piperidin-4-ylpyridazin-3-amine.

Molecular Properties

Compound Nameethane;5-methyl-6-piperidin-4-ylpyridazin-3-amine
PubChem CID142566799
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Nameethane;5-methyl-6-piperidin-4-ylpyridazin-3-amine
SMILESCC.Cc1cc(N)nnc1C1CCNCC1
InChIInChI=1S/C10H16N4.C2H6/c1-7-6-9(11)13-14-10(7)8-2-4-12-5-3-8;1-2/h6,8,12H,2-5H2,1H3,(H2,11,13);1-2H3
InChIKeyVWHUGDNQMCJZMW-UHFFFAOYSA-N
XLogP1.86
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-Benzyl-piperidin-4-yl)-ethyl]-(6-phenyl-pyridazin-3-yl)-amine; hydrochloride
CID 10067904
N-(2-(1-benzylpiperidin-4-yl)ethyl)-4-methyl-6-phenylpyridazin-3-amine
CID 11058147
N-(2-(1-benzylpiperidin-4-yl)ethyl)-5-methyl-6-phenylpyridazin-3-amine
CID 11740877
(4-Methyl-6-phenyl-pyridazin-3-yl)-(2-piperidin-1-yl-ethyl)-amine; hydrochloride
CID 3088563
1,4-Butanediamine, N-(4-methyl-6-phenyl-3-pyridazinyl)-, dihydrochloride, hydrate
CID 6410652
N'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine
CID 6410651
N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine
CID 6410653
N-methyl-N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine
CID 6410670
N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine
CID 6410803
(1-Benzyl-piperidin-4-ylmethyl)-(6-phenyl-pyridazin-3-yl)-amine; hydrochloride
CID 10689771
(6-Phenyl-pyridazin-3-yl)-(2-piperidin-1-yl-ethyl)-amine; hydrochloride
CID 44275223
6-methyl-N-[1-(2-phenylethyl)-3-piperidinyl]-3-pyridazinamine
CID 70742643

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-6-piperidin-4-ylpyridazin-3-amine?
The IUPAC name of ethane;5-methyl-6-piperidin-4-ylpyridazin-3-amine (CID 142566799) is ethane;5-methyl-6-piperidin-4-ylpyridazin-3-amine.
What is the SMILES notation for ethane;5-methyl-6-piperidin-4-ylpyridazin-3-amine?
The canonical SMILES for ethane;5-methyl-6-piperidin-4-ylpyridazin-3-amine is CC.Cc1cc(N)nnc1C1CCNCC1.
What is the InChIKey of ethane;5-methyl-6-piperidin-4-ylpyridazin-3-amine?
The InChIKey is VWHUGDNQMCJZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4.C2H6/c1-7-6-9(11)13-14-10(7)8-2-4-12-5-3-8;1-2/h6,8,12H,2-5H2,1H3,(H2,11,13);1-2H3.
What are the key properties of ethane;5-methyl-6-piperidin-4-ylpyridazin-3-amine?
ethane;5-methyl-6-piperidin-4-ylpyridazin-3-amine has a molecular weight of 222.34 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-6-piperidin-4-ylpyridazin-3-amine is sourced from PubChem (CID 142566799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).