5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine

C13H23N5 — CID 58227158

IUPAC5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine
SMILESCC(C)CNc1cc(N2CCN(C)CC2)cnn1
InChIInChI=1S/C13H23N5/c1-11(2)9-14-13-8-12(10-15-16-13)18-6-4-17(3)5-7-18/h8,10-11H,4-7,9H2,1-3H3,(H,14,16)
InChIKeyGDERZZCOGRXYBU-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.30
Rot. Bonds4

About 5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine

5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine (PubChem CID 58227158) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine
PubChem CID58227158
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine
SMILESCC(C)CNc1cc(N2CCN(C)CC2)cnn1
InChIInChI=1S/C13H23N5/c1-11(2)9-14-13-8-12(10-15-16-13)18-6-4-17(3)5-7-18/h8,10-11H,4-7,9H2,1-3H3,(H,14,16)
InChIKeyGDERZZCOGRXYBU-UHFFFAOYSA-N
XLogP1.30
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine (CID 58227158) is 5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine is CC(C)CNc1cc(N2CCN(C)CC2)cnn1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine?
The InChIKey is GDERZZCOGRXYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-11(2)9-14-13-8-12(10-15-16-13)18-6-4-17(3)5-7-18/h8,10-11H,4-7,9H2,1-3H3,(H,14,16).
What are the key properties of 5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine?
5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine has a molecular weight of 249.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine is sourced from PubChem (CID 58227158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).