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

C15H22Cl2N4 — CID 6410804

IUPACN',N'-dimethyl-N-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride
SMILESCc1cc(-c2ccccc2)nnc1NCCN(C)C.Cl.Cl
InChIInChI=1S/C15H20N4.2ClH/c1-12-11-14(13-7-5-4-6-8-13)17-18-15(12)16-9-10-19(2)3;;/h4-8,11H,9-10H2,1-3H3,(H,16,18);2*1H
InChIKeyZUDCSNNVEXBABY-UHFFFAOYSA-N
MW329.28 g/mol
LogP3.27
Rot. Bonds5

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

N',N'-dimethyl-N-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride (PubChem CID 6410804) has the molecular formula C15H22Cl2N4 and a molecular weight of 329.28 g/mol. Its IUPAC name is N',N'-dimethyl-N-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN',N'-dimethyl-N-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride
PubChem CID6410804
Molecular FormulaC15H22Cl2N4
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC NameN',N'-dimethyl-N-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride
SMILESCc1cc(-c2ccccc2)nnc1NCCN(C)C.Cl.Cl
InChIInChI=1S/C15H20N4.2ClH/c1-12-11-14(13-7-5-4-6-8-13)17-18-15(12)16-9-10-19(2)3;;/h4-8,11H,9-10H2,1-3H3,(H,16,18);2*1H
InChIKeyZUDCSNNVEXBABY-UHFFFAOYSA-N
XLogP3.27
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N',N'-dimethyl-N-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride (CID 6410804) is N',N'-dimethyl-N-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N',N'-dimethyl-N-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N',N'-dimethyl-N-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride is Cc1cc(-c2ccccc2)nnc1NCCN(C)C.Cl.Cl.
What is the InChIKey of N',N'-dimethyl-N-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is ZUDCSNNVEXBABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4.2ClH/c1-12-11-14(13-7-5-4-6-8-13)17-18-15(12)16-9-10-19(2)3;;/h4-8,11H,9-10H2,1-3H3,(H,16,18);2*1H.
What are the key properties of N',N'-dimethyl-N-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride?
N',N'-dimethyl-N-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 329.28 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 6410804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).