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

C11H17ClN4 — CID 155284593

IUPAC6-chloro-4-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
SMILESCc1cc(Cl)nnc1N[C@@H]1CCCN(C)C1
InChIInChI=1S/C11H17ClN4/c1-8-6-10(12)14-15-11(8)13-9-4-3-5-16(2)7-9/h6,9H,3-5,7H2,1-2H3,(H,13,15)/t9-/m1/s1
InChIKeyYJSREJVUGWDHEN-SECBINFHSA-N
MW240.74 g/mol
LogP1.94
Rot. Bonds2

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

6-chloro-4-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine (PubChem CID 155284593) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 6-chloro-4-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-4-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
PubChem CID155284593
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name6-chloro-4-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
SMILESCc1cc(Cl)nnc1N[C@@H]1CCCN(C)C1
InChIInChI=1S/C11H17ClN4/c1-8-6-10(12)14-15-11(8)13-9-4-3-5-16(2)7-9/h6,9H,3-5,7H2,1-2H3,(H,13,15)/t9-/m1/s1
InChIKeyYJSREJVUGWDHEN-SECBINFHSA-N
XLogP1.94
TPSA41.05 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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine?
The IUPAC name of 6-chloro-4-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine (CID 155284593) is 6-chloro-4-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-4-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-4-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine is Cc1cc(Cl)nnc1N[C@@H]1CCCN(C)C1.
What is the InChIKey of 6-chloro-4-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine?
The InChIKey is YJSREJVUGWDHEN-SECBINFHSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-8-6-10(12)14-15-11(8)13-9-4-3-5-16(2)7-9/h6,9H,3-5,7H2,1-2H3,(H,13,15)/t9-/m1/s1.
What are the key properties of 6-chloro-4-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine?
6-chloro-4-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine has a molecular weight of 240.74 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine is sourced from PubChem (CID 155284593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).