N'-(6-pyridin-2-ylpyridazin-3-yl)ethane-1,2-diamine

C11H13N5 — CID 116970430

IUPACN'-(6-pyridin-2-ylpyridazin-3-yl)ethane-1,2-diamine
SMILESNCCNc1ccc(-c2ccccn2)nn1
InChIInChI=1S/C11H13N5/c12-6-8-14-11-5-4-10(15-16-11)9-3-1-2-7-13-9/h1-5,7H,6,8,12H2,(H,14,16)
InChIKeyIXHXEJWSDQXHBP-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.91
Rot. Bonds4

About N'-(6-pyridin-2-ylpyridazin-3-yl)ethane-1,2-diamine

N'-(6-pyridin-2-ylpyridazin-3-yl)ethane-1,2-diamine (PubChem CID 116970430) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is N'-(6-pyridin-2-ylpyridazin-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-pyridin-2-ylpyridazin-3-yl)ethane-1,2-diamine
PubChem CID116970430
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC NameN'-(6-pyridin-2-ylpyridazin-3-yl)ethane-1,2-diamine
SMILESNCCNc1ccc(-c2ccccn2)nn1
InChIInChI=1S/C11H13N5/c12-6-8-14-11-5-4-10(15-16-11)9-3-1-2-7-13-9/h1-5,7H,6,8,12H2,(H,14,16)
InChIKeyIXHXEJWSDQXHBP-UHFFFAOYSA-N
XLogP0.91
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(6-pyridin-2-ylpyridazin-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-(6-pyridin-2-ylpyridazin-3-yl)ethane-1,2-diamine (CID 116970430) is N'-(6-pyridin-2-ylpyridazin-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(6-pyridin-2-ylpyridazin-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(6-pyridin-2-ylpyridazin-3-yl)ethane-1,2-diamine is NCCNc1ccc(-c2ccccn2)nn1.
What is the InChIKey of N'-(6-pyridin-2-ylpyridazin-3-yl)ethane-1,2-diamine?
The InChIKey is IXHXEJWSDQXHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c12-6-8-14-11-5-4-10(15-16-11)9-3-1-2-7-13-9/h1-5,7H,6,8,12H2,(H,14,16).
What are the key properties of N'-(6-pyridin-2-ylpyridazin-3-yl)ethane-1,2-diamine?
N'-(6-pyridin-2-ylpyridazin-3-yl)ethane-1,2-diamine has a molecular weight of 215.26 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-pyridin-2-ylpyridazin-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 116970430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).