2-N-methyl-2-N-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]propane-1,2-diamine

C14H25N5 — CID 116973376

IUPAC2-N-methyl-2-N-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]propane-1,2-diamine
SMILESCC(CN)N(C)c1ccc(C2CCN(C)CC2)nn1
InChIInChI=1S/C14H25N5/c1-11(10-15)19(3)14-5-4-13(16-17-14)12-6-8-18(2)9-7-12/h4-5,11-12H,6-10,15H2,1-3H3
InChIKeyVSQSSYQYCKXOCG-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.07
Rot. Bonds4

About 2-N-methyl-2-N-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]propane-1,2-diamine

2-N-methyl-2-N-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]propane-1,2-diamine (PubChem CID 116973376) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-N-methyl-2-N-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]propane-1,2-diamine
PubChem CID116973376
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name2-N-methyl-2-N-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]propane-1,2-diamine
SMILESCC(CN)N(C)c1ccc(C2CCN(C)CC2)nn1
InChIInChI=1S/C14H25N5/c1-11(10-15)19(3)14-5-4-13(16-17-14)12-6-8-18(2)9-7-12/h4-5,11-12H,6-10,15H2,1-3H3
InChIKeyVSQSSYQYCKXOCG-UHFFFAOYSA-N
XLogP1.07
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]propane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]propane-1,2-diamine (CID 116973376) is 2-N-methyl-2-N-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]propane-1,2-diamine is CC(CN)N(C)c1ccc(C2CCN(C)CC2)nn1.
What is the InChIKey of 2-N-methyl-2-N-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]propane-1,2-diamine?
The InChIKey is VSQSSYQYCKXOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-11(10-15)19(3)14-5-4-13(16-17-14)12-6-8-18(2)9-7-12/h4-5,11-12H,6-10,15H2,1-3H3.
What are the key properties of 2-N-methyl-2-N-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]propane-1,2-diamine?
2-N-methyl-2-N-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]propane-1,2-diamine has a molecular weight of 263.39 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]propane-1,2-diamine is sourced from PubChem (CID 116973376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).