N'-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]ethane-1,2-diamine

C14H18N4 — CID 116973263

IUPACN'-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]ethane-1,2-diamine
SMILESCc1cccc(-c2ccc(N(C)CCN)nn2)c1
InChIInChI=1S/C14H18N4/c1-11-4-3-5-12(10-11)13-6-7-14(17-16-13)18(2)9-8-15/h3-7,10H,8-9,15H2,1-2H3
InChIKeyGHYCEHQGWMJDIO-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.85
Rot. Bonds4

About N'-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]ethane-1,2-diamine

N'-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]ethane-1,2-diamine (PubChem CID 116973263) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N'-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]ethane-1,2-diamine
PubChem CID116973263
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN'-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]ethane-1,2-diamine
SMILESCc1cccc(-c2ccc(N(C)CCN)nn2)c1
InChIInChI=1S/C14H18N4/c1-11-4-3-5-12(10-11)13-6-7-14(17-16-13)18(2)9-8-15/h3-7,10H,8-9,15H2,1-2H3
InChIKeyGHYCEHQGWMJDIO-UHFFFAOYSA-N
XLogP1.85
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]ethane-1,2-diamine (CID 116973263) is N'-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]ethane-1,2-diamine is Cc1cccc(-c2ccc(N(C)CCN)nn2)c1.
What is the InChIKey of N'-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]ethane-1,2-diamine?
The InChIKey is GHYCEHQGWMJDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11-4-3-5-12(10-11)13-6-7-14(17-16-13)18(2)9-8-15/h3-7,10H,8-9,15H2,1-2H3.
What are the key properties of N'-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]ethane-1,2-diamine?
N'-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]ethane-1,2-diamine has a molecular weight of 242.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 116973263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).