1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-amine

C16H20N4 — CID 56770727

IUPAC1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-amine
SMILESCc1ccccc1-c1ccc(N2CCCC(N)C2)nn1
InChIInChI=1S/C16H20N4/c1-12-5-2-3-7-14(12)15-8-9-16(19-18-15)20-10-4-6-13(17)11-20/h2-3,5,7-9,13H,4,6,10-11,17H2,1H3
InChIKeyQGCKOLBGQIHNBN-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.38
Rot. Bonds2

About 1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-amine

1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-amine (PubChem CID 56770727) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-amine
PubChem CID56770727
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-amine
SMILESCc1ccccc1-c1ccc(N2CCCC(N)C2)nn1
InChIInChI=1S/C16H20N4/c1-12-5-2-3-7-14(12)15-8-9-16(19-18-15)20-10-4-6-13(17)11-20/h2-3,5,7-9,13H,4,6,10-11,17H2,1H3
InChIKeyQGCKOLBGQIHNBN-UHFFFAOYSA-N
XLogP2.38
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-amine
CID 95361082
1-[6-(5-methylfuran-2-yl)pyridazin-3-yl]piperidin-3-amine
CID 116972407
N-[(2-methylphenyl)methyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025019
(3S)-N-(3-methylbutyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055658
[4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 121070612
N-(2-fluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070656
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 121070631
(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine
CID 86318137
N-(3,5-dichlorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070715
N-(2-methoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070660
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121070694
(3S)-N-[(4-chlorophenyl)methyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30356026

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-amine?
The IUPAC name of 1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-amine (CID 56770727) is 1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-amine.
What is the SMILES notation for 1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-amine?
The canonical SMILES for 1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-amine is Cc1ccccc1-c1ccc(N2CCCC(N)C2)nn1.
What is the InChIKey of 1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-amine?
The InChIKey is QGCKOLBGQIHNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-12-5-2-3-7-14(12)15-8-9-16(19-18-15)20-10-4-6-13(17)11-20/h2-3,5,7-9,13H,4,6,10-11,17H2,1H3.
What are the key properties of 1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-amine?
1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-amine has a molecular weight of 268.36 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-amine is sourced from PubChem (CID 56770727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).