3,6-dichloro-N-(2-methylpiperidin-3-yl)pyridazin-4-amine

C10H14Cl2N4 — CID 114695592

IUPAC3,6-dichloro-N-(2-methylpiperidin-3-yl)pyridazin-4-amine
SMILESCC1NCCCC1Nc1cc(Cl)nnc1Cl
InChIInChI=1S/C10H14Cl2N4/c1-6-7(3-2-4-13-6)14-8-5-9(11)15-16-10(8)12/h5-7,13H,2-4H2,1H3,(H,14,15)
InChIKeyIWDOUAGEGATBTJ-UHFFFAOYSA-N
MW261.16 g/mol
LogP2.34
Rot. Bonds2

About 3,6-dichloro-N-(2-methylpiperidin-3-yl)pyridazin-4-amine

3,6-dichloro-N-(2-methylpiperidin-3-yl)pyridazin-4-amine (PubChem CID 114695592) has the molecular formula C10H14Cl2N4 and a molecular weight of 261.16 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-methylpiperidin-3-yl)pyridazin-4-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(2-methylpiperidin-3-yl)pyridazin-4-amine
PubChem CID114695592
Molecular FormulaC10H14Cl2N4
Molecular Weight261.16 g/mol
Exact Mass260.06
IUPAC Name3,6-dichloro-N-(2-methylpiperidin-3-yl)pyridazin-4-amine
SMILESCC1NCCCC1Nc1cc(Cl)nnc1Cl
InChIInChI=1S/C10H14Cl2N4/c1-6-7(3-2-4-13-6)14-8-5-9(11)15-16-10(8)12/h5-7,13H,2-4H2,1H3,(H,14,15)
InChIKeyIWDOUAGEGATBTJ-UHFFFAOYSA-N
XLogP2.34
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-methylpiperidin-3-yl)pyridazin-4-amine?
The IUPAC name of 3,6-dichloro-N-(2-methylpiperidin-3-yl)pyridazin-4-amine (CID 114695592) is 3,6-dichloro-N-(2-methylpiperidin-3-yl)pyridazin-4-amine.
What is the SMILES notation for 3,6-dichloro-N-(2-methylpiperidin-3-yl)pyridazin-4-amine?
The canonical SMILES for 3,6-dichloro-N-(2-methylpiperidin-3-yl)pyridazin-4-amine is CC1NCCCC1Nc1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-(2-methylpiperidin-3-yl)pyridazin-4-amine?
The InChIKey is IWDOUAGEGATBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N4/c1-6-7(3-2-4-13-6)14-8-5-9(11)15-16-10(8)12/h5-7,13H,2-4H2,1H3,(H,14,15).
What are the key properties of 3,6-dichloro-N-(2-methylpiperidin-3-yl)pyridazin-4-amine?
3,6-dichloro-N-(2-methylpiperidin-3-yl)pyridazin-4-amine has a molecular weight of 261.16 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2-methylpiperidin-3-yl)pyridazin-4-amine is sourced from PubChem (CID 114695592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).