6-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridazin-3-amine

C14H24ClN5 — CID 61241021

IUPAC6-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridazin-3-amine
SMILESCC(C)C(CNc1ccc(Cl)nn1)N1CCN(C)CC1
InChIInChI=1S/C14H24ClN5/c1-11(2)12(20-8-6-19(3)7-9-20)10-16-14-5-4-13(15)17-18-14/h4-5,11-12H,6-10H2,1-3H3,(H,16,18)
InChIKeyVBRVGUQADIGACY-UHFFFAOYSA-N
MW297.83 g/mol
LogP1.81
Rot. Bonds5

About 6-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridazin-3-amine

6-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridazin-3-amine (PubChem CID 61241021) has the molecular formula C14H24ClN5 and a molecular weight of 297.83 g/mol. Its IUPAC name is 6-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridazin-3-amine
PubChem CID61241021
Molecular FormulaC14H24ClN5
Molecular Weight297.83 g/mol
Exact Mass297.17
IUPAC Name6-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridazin-3-amine
SMILESCC(C)C(CNc1ccc(Cl)nn1)N1CCN(C)CC1
InChIInChI=1S/C14H24ClN5/c1-11(2)12(20-8-6-19(3)7-9-20)10-16-14-5-4-13(15)17-18-14/h4-5,11-12H,6-10H2,1-3H3,(H,16,18)
InChIKeyVBRVGUQADIGACY-UHFFFAOYSA-N
XLogP1.81
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridazin-3-amine?
The IUPAC name of 6-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridazin-3-amine (CID 61241021) is 6-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridazin-3-amine is CC(C)C(CNc1ccc(Cl)nn1)N1CCN(C)CC1.
What is the InChIKey of 6-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridazin-3-amine?
The InChIKey is VBRVGUQADIGACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN5/c1-11(2)12(20-8-6-19(3)7-9-20)10-16-14-5-4-13(15)17-18-14/h4-5,11-12H,6-10H2,1-3H3,(H,16,18).
What are the key properties of 6-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridazin-3-amine?
6-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridazin-3-amine has a molecular weight of 297.83 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridazin-3-amine is sourced from PubChem (CID 61241021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).