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

C15H20N4 — CID 116970792

IUPAC2-methyl-N'-[6-(4-methylphenyl)pyridazin-3-yl]propane-1,3-diamine
SMILESCc1ccc(-c2ccc(NCC(C)CN)nn2)cc1
InChIInChI=1S/C15H20N4/c1-11-3-5-13(6-4-11)14-7-8-15(19-18-14)17-10-12(2)9-16/h3-8,12H,9-10,16H2,1-2H3,(H,17,19)
InChIKeyQTZPHSNJPNWKPS-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.46
Rot. Bonds5

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

2-methyl-N'-[6-(4-methylphenyl)pyridazin-3-yl]propane-1,3-diamine (PubChem CID 116970792) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-N'-[6-(4-methylphenyl)pyridazin-3-yl]propane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-N'-[6-(4-methylphenyl)pyridazin-3-yl]propane-1,3-diamine
PubChem CID116970792
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-methyl-N'-[6-(4-methylphenyl)pyridazin-3-yl]propane-1,3-diamine
SMILESCc1ccc(-c2ccc(NCC(C)CN)nn2)cc1
InChIInChI=1S/C15H20N4/c1-11-3-5-13(6-4-11)14-7-8-15(19-18-14)17-10-12(2)9-16/h3-8,12H,9-10,16H2,1-2H3,(H,17,19)
InChIKeyQTZPHSNJPNWKPS-UHFFFAOYSA-N
XLogP2.46
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)propane-1,3-diamine
CID 116970808
3-N-[6-(4-methylphenyl)pyridazin-3-yl]butane-1,3-diamine
CID 116970758
2,2-dimethyl-N'-(6-phenylpyridazin-3-yl)propane-1,3-diamine
CID 116970880
[6-(4-methylphenyl)pyridazin-3-yl]methanamine
CID 82282214
N'-[6-(4-bromophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 82191433
2-N-(3-amino-2-methylpropyl)pyridine-2,5-diamine
CID 117044524
N'-[6-(4-chlorophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 82191432
2-methyl-N'-[6-(1-methylpiperidin-3-yl)pyridazin-3-yl]propane-1,3-diamine
CID 116970815
6-(4-tert-butylphenyl)-N-ethylpyridazin-3-amine
CID 62202156
3-N-[6-(4-bromophenyl)pyridazin-3-yl]butane-1,3-diamine
CID 116970760
N'-[6-(2,4-dimethylphenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 82191427
1-N-[6-(1,3-benzoxazol-6-yl)pyridazin-3-yl]propane-1,2-diamine
CID 116970582

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[6-(4-methylphenyl)pyridazin-3-yl]propane-1,3-diamine?
The IUPAC name of 2-methyl-N'-[6-(4-methylphenyl)pyridazin-3-yl]propane-1,3-diamine (CID 116970792) is 2-methyl-N'-[6-(4-methylphenyl)pyridazin-3-yl]propane-1,3-diamine.
What is the SMILES notation for 2-methyl-N'-[6-(4-methylphenyl)pyridazin-3-yl]propane-1,3-diamine?
The canonical SMILES for 2-methyl-N'-[6-(4-methylphenyl)pyridazin-3-yl]propane-1,3-diamine is Cc1ccc(-c2ccc(NCC(C)CN)nn2)cc1.
What is the InChIKey of 2-methyl-N'-[6-(4-methylphenyl)pyridazin-3-yl]propane-1,3-diamine?
The InChIKey is QTZPHSNJPNWKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-3-5-13(6-4-11)14-7-8-15(19-18-14)17-10-12(2)9-16/h3-8,12H,9-10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-methyl-N'-[6-(4-methylphenyl)pyridazin-3-yl]propane-1,3-diamine?
2-methyl-N'-[6-(4-methylphenyl)pyridazin-3-yl]propane-1,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[6-(4-methylphenyl)pyridazin-3-yl]propane-1,3-diamine is sourced from PubChem (CID 116970792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).