N,N'-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]ethane-1,2-diamine

C14H25N5 — CID 116973312

IUPACN,N'-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]ethane-1,2-diamine
SMILESCNCCN(C)c1ccc(C2CCN(C)CC2)nn1
InChIInChI=1S/C14H25N5/c1-15-8-11-19(3)14-5-4-13(16-17-14)12-6-9-18(2)10-7-12/h4-5,12,15H,6-11H2,1-3H3
InChIKeyIXEUYNQYRBQJNN-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.94
Rot. Bonds5

About N,N'-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]ethane-1,2-diamine

N,N'-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]ethane-1,2-diamine (PubChem CID 116973312) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]ethane-1,2-diamine
PubChem CID116973312
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC NameN,N'-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]ethane-1,2-diamine
SMILESCNCCN(C)c1ccc(C2CCN(C)CC2)nn1
InChIInChI=1S/C14H25N5/c1-15-8-11-19(3)14-5-4-13(16-17-14)12-6-9-18(2)10-7-12/h4-5,12,15H,6-11H2,1-3H3
InChIKeyIXEUYNQYRBQJNN-UHFFFAOYSA-N
XLogP0.94
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]ethane-1,2-diamine (CID 116973312) is N,N'-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]ethane-1,2-diamine is CNCCN(C)c1ccc(C2CCN(C)CC2)nn1.
What is the InChIKey of N,N'-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]ethane-1,2-diamine?
The InChIKey is IXEUYNQYRBQJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-15-8-11-19(3)14-5-4-13(16-17-14)12-6-9-18(2)10-7-12/h4-5,12,15H,6-11H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]ethane-1,2-diamine has a molecular weight of 263.39 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 116973312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).