N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride

C13H18Cl2N4 — CID 6410802

IUPACN'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride
SMILESCc1cc(-c2ccccc2)nnc1NCCN.Cl.Cl
InChIInChI=1S/C13H16N4.2ClH/c1-10-9-12(11-5-3-2-4-6-11)16-17-13(10)15-8-7-14;;/h2-6,9H,7-8,14H2,1H3,(H,15,17);2*1H
InChIKeyCTKLICXVGAUHHC-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.67
Rot. Bonds4

About N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride

N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride (PubChem CID 6410802) has the molecular formula C13H18Cl2N4 and a molecular weight of 301.22 g/mol. Its IUPAC name is N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride
PubChem CID6410802
Molecular FormulaC13H18Cl2N4
Molecular Weight301.22 g/mol
Exact Mass300.09
IUPAC NameN'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride
SMILESCc1cc(-c2ccccc2)nnc1NCCN.Cl.Cl
InChIInChI=1S/C13H16N4.2ClH/c1-10-9-12(11-5-3-2-4-6-11)16-17-13(10)15-8-7-14;;/h2-6,9H,7-8,14H2,1H3,(H,15,17);2*1H
InChIKeyCTKLICXVGAUHHC-UHFFFAOYSA-N
XLogP2.67
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride (CID 6410802) is N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride is Cc1cc(-c2ccccc2)nnc1NCCN.Cl.Cl.
What is the InChIKey of N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is CTKLICXVGAUHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4.2ClH/c1-10-9-12(11-5-3-2-4-6-11)16-17-13(10)15-8-7-14;;/h2-6,9H,7-8,14H2,1H3,(H,15,17);2*1H.
What are the key properties of N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride?
N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 301.22 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 6410802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).