6-(5-methylfuran-2-yl)-N-piperidin-4-ylpyridazin-3-amine

C14H18N4O — CID 116971043

IUPAC6-(5-methylfuran-2-yl)-N-piperidin-4-ylpyridazin-3-amine
SMILESCc1ccc(-c2ccc(NC3CCNCC3)nn2)o1
InChIInChI=1S/C14H18N4O/c1-10-2-4-13(19-10)12-3-5-14(18-17-12)16-11-6-8-15-9-7-11/h2-5,11,15H,6-9H2,1H3,(H,16,18)
InChIKeyYNLYEMWMIHKTDL-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.21
Rot. Bonds3

About 6-(5-methylfuran-2-yl)-N-piperidin-4-ylpyridazin-3-amine

6-(5-methylfuran-2-yl)-N-piperidin-4-ylpyridazin-3-amine (PubChem CID 116971043) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-(5-methylfuran-2-yl)-N-piperidin-4-ylpyridazin-3-amine.

Molecular Properties

Compound Name6-(5-methylfuran-2-yl)-N-piperidin-4-ylpyridazin-3-amine
PubChem CID116971043
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name6-(5-methylfuran-2-yl)-N-piperidin-4-ylpyridazin-3-amine
SMILESCc1ccc(-c2ccc(NC3CCNCC3)nn2)o1
InChIInChI=1S/C14H18N4O/c1-10-2-4-13(19-10)12-3-5-14(18-17-12)16-11-6-8-15-9-7-11/h2-5,11,15H,6-9H2,1H3,(H,16,18)
InChIKeyYNLYEMWMIHKTDL-UHFFFAOYSA-N
XLogP2.21
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methylfuran-2-yl)-N-piperidin-4-ylpyridazin-3-amine?
The IUPAC name of 6-(5-methylfuran-2-yl)-N-piperidin-4-ylpyridazin-3-amine (CID 116971043) is 6-(5-methylfuran-2-yl)-N-piperidin-4-ylpyridazin-3-amine.
What is the SMILES notation for 6-(5-methylfuran-2-yl)-N-piperidin-4-ylpyridazin-3-amine?
The canonical SMILES for 6-(5-methylfuran-2-yl)-N-piperidin-4-ylpyridazin-3-amine is Cc1ccc(-c2ccc(NC3CCNCC3)nn2)o1.
What is the InChIKey of 6-(5-methylfuran-2-yl)-N-piperidin-4-ylpyridazin-3-amine?
The InChIKey is YNLYEMWMIHKTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-2-4-13(19-10)12-3-5-14(18-17-12)16-11-6-8-15-9-7-11/h2-5,11,15H,6-9H2,1H3,(H,16,18).
What are the key properties of 6-(5-methylfuran-2-yl)-N-piperidin-4-ylpyridazin-3-amine?
6-(5-methylfuran-2-yl)-N-piperidin-4-ylpyridazin-3-amine has a molecular weight of 258.32 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylfuran-2-yl)-N-piperidin-4-ylpyridazin-3-amine is sourced from PubChem (CID 116971043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).