N'-(5-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride

C12H16Cl2N4 — CID 6410658

IUPACN'-(5-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.NCCNc1cc(-c2ccccc2)cnn1
InChIInChI=1S/C12H14N4.2ClH/c13-6-7-14-12-8-11(9-15-16-12)10-4-2-1-3-5-10;;/h1-5,8-9H,6-7,13H2,(H,14,16);2*1H
InChIKeyBDRHDXSMPNPAMQ-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.36
Rot. Bonds4

About N'-(5-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride

N'-(5-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride (PubChem CID 6410658) has the molecular formula C12H16Cl2N4 and a molecular weight of 287.19 g/mol. Its IUPAC name is N'-(5-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-(5-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride
PubChem CID6410658
Molecular FormulaC12H16Cl2N4
Molecular Weight287.19 g/mol
Exact Mass286.08
IUPAC NameN'-(5-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.NCCNc1cc(-c2ccccc2)cnn1
InChIInChI=1S/C12H14N4.2ClH/c13-6-7-14-12-8-11(9-15-16-12)10-4-2-1-3-5-10;;/h1-5,8-9H,6-7,13H2,(H,14,16);2*1H
InChIKeyBDRHDXSMPNPAMQ-UHFFFAOYSA-N
XLogP2.36
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(5-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N'-(5-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride (CID 6410658) is N'-(5-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N'-(5-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N'-(5-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride is Cl.Cl.NCCNc1cc(-c2ccccc2)cnn1.
What is the InChIKey of N'-(5-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is BDRHDXSMPNPAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4.2ClH/c13-6-7-14-12-8-11(9-15-16-12)10-4-2-1-3-5-10;;/h1-5,8-9H,6-7,13H2,(H,14,16);2*1H.
What are the key properties of N'-(5-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride?
N'-(5-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 287.19 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 6410658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).