2-N-[6-(2,4-dimethylphenyl)pyridazin-3-yl]propane-1,2-diamine

C15H20N4 — CID 116970517

IUPAC2-N-[6-(2,4-dimethylphenyl)pyridazin-3-yl]propane-1,2-diamine
SMILESCc1ccc(-c2ccc(NC(C)CN)nn2)c(C)c1
InChIInChI=1S/C15H20N4/c1-10-4-5-13(11(2)8-10)14-6-7-15(19-18-14)17-12(3)9-16/h4-8,12H,9,16H2,1-3H3,(H,17,19)
InChIKeyPPBBRHOINIVCHM-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.52
Rot. Bonds4

About 2-N-[6-(2,4-dimethylphenyl)pyridazin-3-yl]propane-1,2-diamine

2-N-[6-(2,4-dimethylphenyl)pyridazin-3-yl]propane-1,2-diamine (PubChem CID 116970517) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-N-[6-(2,4-dimethylphenyl)pyridazin-3-yl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[6-(2,4-dimethylphenyl)pyridazin-3-yl]propane-1,2-diamine
PubChem CID116970517
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-N-[6-(2,4-dimethylphenyl)pyridazin-3-yl]propane-1,2-diamine
SMILESCc1ccc(-c2ccc(NC(C)CN)nn2)c(C)c1
InChIInChI=1S/C15H20N4/c1-10-4-5-13(11(2)8-10)14-6-7-15(19-18-14)17-12(3)9-16/h4-8,12H,9,16H2,1-3H3,(H,17,19)
InChIKeyPPBBRHOINIVCHM-UHFFFAOYSA-N
XLogP2.52
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-[6-(2,4-dimethylphenyl)pyridazin-3-yl]propane-1,2-diamine?
The IUPAC name of 2-N-[6-(2,4-dimethylphenyl)pyridazin-3-yl]propane-1,2-diamine (CID 116970517) is 2-N-[6-(2,4-dimethylphenyl)pyridazin-3-yl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[6-(2,4-dimethylphenyl)pyridazin-3-yl]propane-1,2-diamine?
The canonical SMILES for 2-N-[6-(2,4-dimethylphenyl)pyridazin-3-yl]propane-1,2-diamine is Cc1ccc(-c2ccc(NC(C)CN)nn2)c(C)c1.
What is the InChIKey of 2-N-[6-(2,4-dimethylphenyl)pyridazin-3-yl]propane-1,2-diamine?
The InChIKey is PPBBRHOINIVCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-10-4-5-13(11(2)8-10)14-6-7-15(19-18-14)17-12(3)9-16/h4-8,12H,9,16H2,1-3H3,(H,17,19).
What are the key properties of 2-N-[6-(2,4-dimethylphenyl)pyridazin-3-yl]propane-1,2-diamine?
2-N-[6-(2,4-dimethylphenyl)pyridazin-3-yl]propane-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[6-(2,4-dimethylphenyl)pyridazin-3-yl]propane-1,2-diamine is sourced from PubChem (CID 116970517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).