N-(2-bicyclo[2.2.1]heptanyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-amine

C16H25N5 — CID 58227144

IUPACN-(2-bicyclo[2.2.1]heptanyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-amine
SMILESCN1CCN(c2cnnc(NC3CC4CCC3C4)c2)CC1
InChIInChI=1S/C16H25N5/c1-20-4-6-21(7-5-20)14-10-16(19-17-11-14)18-15-9-12-2-3-13(15)8-12/h10-13,15H,2-9H2,1H3,(H,18,19)
InChIKeyQAXRJLAQFRQDQS-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.83
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-amine

N-(2-bicyclo[2.2.1]heptanyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-amine (PubChem CID 58227144) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-amine
PubChem CID58227144
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-amine
SMILESCN1CCN(c2cnnc(NC3CC4CCC3C4)c2)CC1
InChIInChI=1S/C16H25N5/c1-20-4-6-21(7-5-20)14-10-16(19-17-11-14)18-15-9-12-2-3-13(15)8-12/h10-13,15H,2-9H2,1H3,(H,18,19)
InChIKeyQAXRJLAQFRQDQS-UHFFFAOYSA-N
XLogP1.83
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-amine (CID 58227144) is N-(2-bicyclo[2.2.1]heptanyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-amine is CN1CCN(c2cnnc(NC3CC4CCC3C4)c2)CC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-amine?
The InChIKey is QAXRJLAQFRQDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-20-4-6-21(7-5-20)14-10-16(19-17-11-14)18-15-9-12-2-3-13(15)8-12/h10-13,15H,2-9H2,1H3,(H,18,19).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-amine?
N-(2-bicyclo[2.2.1]heptanyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-amine has a molecular weight of 287.41 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-amine is sourced from PubChem (CID 58227144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).