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

C14H20Cl2N4 — CID 6410669

IUPACN-methyl-N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride
SMILESCNCCNc1nnc(-c2ccccc2)cc1C.Cl.Cl
InChIInChI=1S/C14H18N4.2ClH/c1-11-10-13(12-6-4-3-5-7-12)17-18-14(11)16-9-8-15-2;;/h3-7,10,15H,8-9H2,1-2H3,(H,16,18);2*1H
InChIKeyBQRHIONXVHNRNR-UHFFFAOYSA-N
MW315.25 g/mol
LogP2.93
Rot. Bonds5

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

N-methyl-N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride (PubChem CID 6410669) has the molecular formula C14H20Cl2N4 and a molecular weight of 315.25 g/mol. Its IUPAC name is N-methyl-N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride
PubChem CID6410669
Molecular FormulaC14H20Cl2N4
Molecular Weight315.25 g/mol
Exact Mass314.11
IUPAC NameN-methyl-N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride
SMILESCNCCNc1nnc(-c2ccccc2)cc1C.Cl.Cl
InChIInChI=1S/C14H18N4.2ClH/c1-11-10-13(12-6-4-3-5-7-12)17-18-14(11)16-9-8-15-2;;/h3-7,10,15H,8-9H2,1-2H3,(H,16,18);2*1H
InChIKeyBQRHIONXVHNRNR-UHFFFAOYSA-N
XLogP2.93
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N-methyl-N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride (CID 6410669) is N-methyl-N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N-methyl-N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N-methyl-N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride is CNCCNc1nnc(-c2ccccc2)cc1C.Cl.Cl.
What is the InChIKey of N-methyl-N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is BQRHIONXVHNRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4.2ClH/c1-11-10-13(12-6-4-3-5-7-12)17-18-14(11)16-9-8-15-2;;/h3-7,10,15H,8-9H2,1-2H3,(H,16,18);2*1H.
What are the key properties of N-methyl-N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride?
N-methyl-N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 315.25 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 6410669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).