1-[6-(5-methylfuran-2-yl)pyridazin-3-yl]piperidin-3-amine

C14H18N4O — CID 116972407

IUPAC1-[6-(5-methylfuran-2-yl)pyridazin-3-yl]piperidin-3-amine
SMILESCc1ccc(-c2ccc(N3CCCC(N)C3)nn2)o1
InChIInChI=1S/C14H18N4O/c1-10-4-6-13(19-10)12-5-7-14(17-16-12)18-8-2-3-11(15)9-18/h4-7,11H,2-3,8-9,15H2,1H3
InChIKeyMIKQKWIBZOHDBG-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.97
Rot. Bonds2

About 1-[6-(5-methylfuran-2-yl)pyridazin-3-yl]piperidin-3-amine

1-[6-(5-methylfuran-2-yl)pyridazin-3-yl]piperidin-3-amine (PubChem CID 116972407) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[6-(5-methylfuran-2-yl)pyridazin-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[6-(5-methylfuran-2-yl)pyridazin-3-yl]piperidin-3-amine
PubChem CID116972407
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-[6-(5-methylfuran-2-yl)pyridazin-3-yl]piperidin-3-amine
SMILESCc1ccc(-c2ccc(N3CCCC(N)C3)nn2)o1
InChIInChI=1S/C14H18N4O/c1-10-4-6-13(19-10)12-5-7-14(17-16-12)18-8-2-3-11(15)9-18/h4-7,11H,2-3,8-9,15H2,1H3
InChIKeyMIKQKWIBZOHDBG-UHFFFAOYSA-N
XLogP1.97
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-amine
CID 56770727
(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine
CID 86318137
(3R)-1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-amine
CID 95361082
1-pyridazin-3-ylpiperidin-3-amine
CID 54593919
1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 116976731
1-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793344
1-(6-cyclopropylpyridazin-3-yl)pyrrolidin-3-amine
CID 83832620
1-(6-methylpyridazin-3-yl)piperidin-4-amine
CID 61311173
(3S)-N-[(5-methylfuran-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95340373
1-[5-(1-benzofuran-2-yl)-1H-pyrazol-3-yl]piperidin-3-amine
CID 114697842
ethyl 4-[(3R)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-3-carbonyl]piperazine-1-carboxylate
CID 30866545
(3R)-1-(5,6-dimethylpyrazin-2-yl)piperidin-3-amine
CID 102986367

Frequently Asked Questions

What is the IUPAC name of 1-[6-(5-methylfuran-2-yl)pyridazin-3-yl]piperidin-3-amine?
The IUPAC name of 1-[6-(5-methylfuran-2-yl)pyridazin-3-yl]piperidin-3-amine (CID 116972407) is 1-[6-(5-methylfuran-2-yl)pyridazin-3-yl]piperidin-3-amine.
What is the SMILES notation for 1-[6-(5-methylfuran-2-yl)pyridazin-3-yl]piperidin-3-amine?
The canonical SMILES for 1-[6-(5-methylfuran-2-yl)pyridazin-3-yl]piperidin-3-amine is Cc1ccc(-c2ccc(N3CCCC(N)C3)nn2)o1.
What is the InChIKey of 1-[6-(5-methylfuran-2-yl)pyridazin-3-yl]piperidin-3-amine?
The InChIKey is MIKQKWIBZOHDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-4-6-13(19-10)12-5-7-14(17-16-12)18-8-2-3-11(15)9-18/h4-7,11H,2-3,8-9,15H2,1H3.
What are the key properties of 1-[6-(5-methylfuran-2-yl)pyridazin-3-yl]piperidin-3-amine?
1-[6-(5-methylfuran-2-yl)pyridazin-3-yl]piperidin-3-amine has a molecular weight of 258.32 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(5-methylfuran-2-yl)pyridazin-3-yl]piperidin-3-amine is sourced from PubChem (CID 116972407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).