4-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyridazin-3-amine

C11H17ClN4 — CID 117105464

IUPAC4-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyridazin-3-amine
SMILESCN1CCC(Cc2cc(Cl)c(N)nn2)CC1
InChIInChI=1S/C11H17ClN4/c1-16-4-2-8(3-5-16)6-9-7-10(12)11(13)15-14-9/h7-8H,2-6H2,1H3,(H2,13,15)
InChIKeyFSPMXMTUMNHPOZ-UHFFFAOYSA-N
MW240.74 g/mol
LogP1.60
Rot. Bonds2

About 4-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyridazin-3-amine

4-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyridazin-3-amine (PubChem CID 117105464) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 4-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name4-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyridazin-3-amine
PubChem CID117105464
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name4-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyridazin-3-amine
SMILESCN1CCC(Cc2cc(Cl)c(N)nn2)CC1
InChIInChI=1S/C11H17ClN4/c1-16-4-2-8(3-5-16)6-9-7-10(12)11(13)15-14-9/h7-8H,2-6H2,1H3,(H2,13,15)
InChIKeyFSPMXMTUMNHPOZ-UHFFFAOYSA-N
XLogP1.60
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyridazin-3-amine?
The IUPAC name of 4-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyridazin-3-amine (CID 117105464) is 4-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyridazin-3-amine.
What is the SMILES notation for 4-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyridazin-3-amine?
The canonical SMILES for 4-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyridazin-3-amine is CN1CCC(Cc2cc(Cl)c(N)nn2)CC1.
What is the InChIKey of 4-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyridazin-3-amine?
The InChIKey is FSPMXMTUMNHPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-16-4-2-8(3-5-16)6-9-7-10(12)11(13)15-14-9/h7-8H,2-6H2,1H3,(H2,13,15).
What are the key properties of 4-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyridazin-3-amine?
4-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyridazin-3-amine has a molecular weight of 240.74 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyridazin-3-amine is sourced from PubChem (CID 117105464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).