1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine

C15H20ClN5 — CID 168954155

IUPAC1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine
SMILESCc1nnc(Cl)c2cc(N3CCC(N(C)C)CC3)cnc12
InChIInChI=1S/C15H20ClN5/c1-10-14-13(15(16)19-18-10)8-12(9-17-14)21-6-4-11(5-7-21)20(2)3/h8-9,11H,4-7H2,1-3H3
InChIKeyKLPLWQBVAJQCOA-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.52
Rot. Bonds2

About 1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine

1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine (PubChem CID 168954155) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine
PubChem CID168954155
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine
SMILESCc1nnc(Cl)c2cc(N3CCC(N(C)C)CC3)cnc12
InChIInChI=1S/C15H20ClN5/c1-10-14-13(15(16)19-18-10)8-12(9-17-14)21-6-4-11(5-7-21)20(2)3/h8-9,11H,4-7H2,1-3H3
InChIKeyKLPLWQBVAJQCOA-UHFFFAOYSA-N
XLogP2.52
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine (CID 168954155) is 1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine is Cc1nnc(Cl)c2cc(N3CCC(N(C)C)CC3)cnc12.
What is the InChIKey of 1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is KLPLWQBVAJQCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-10-14-13(15(16)19-18-10)8-12(9-17-14)21-6-4-11(5-7-21)20(2)3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine?
1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 168954155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).