6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride

C11H16ClN5 — CID 121283820

IUPAC6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride
SMILESCNC1CCN(c2ccc(C#N)nn2)CC1.Cl
InChIInChI=1S/C11H15N5.ClH/c1-13-9-4-6-16(7-5-9)11-3-2-10(8-12)14-15-11;/h2-3,9,13H,4-7H2,1H3;1H
InChIKeySOAGTWAGMIFSPA-UHFFFAOYSA-N
MW253.74 g/mol
LogP0.96
Rot. Bonds2

About 6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride

6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride (PubChem CID 121283820) has the molecular formula C11H16ClN5 and a molecular weight of 253.74 g/mol. Its IUPAC name is 6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride
PubChem CID121283820
Molecular FormulaC11H16ClN5
Molecular Weight253.74 g/mol
Exact Mass253.11
IUPAC Name6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride
SMILESCNC1CCN(c2ccc(C#N)nn2)CC1.Cl
InChIInChI=1S/C11H15N5.ClH/c1-13-9-4-6-16(7-5-9)11-3-2-10(8-12)14-15-11;/h2-3,9,13H,4-7H2,1H3;1H
InChIKeySOAGTWAGMIFSPA-UHFFFAOYSA-N
XLogP0.96
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.74
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride?
The IUPAC name of 6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride (CID 121283820) is 6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride?
The canonical SMILES for 6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride is CNC1CCN(c2ccc(C#N)nn2)CC1.Cl.
What is the InChIKey of 6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride?
The InChIKey is SOAGTWAGMIFSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5.ClH/c1-13-9-4-6-16(7-5-9)11-3-2-10(8-12)14-15-11;/h2-3,9,13H,4-7H2,1H3;1H.
What are the key properties of 6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride?
6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride has a molecular weight of 253.74 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 121283820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).