N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine

C15H20N4 — CID 6410653

IUPACN'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine
SMILESCc1cc(-c2ccccc2)nnc1NCCCCN
InChIInChI=1S/C15H20N4/c1-12-11-14(13-7-3-2-4-8-13)18-19-15(12)17-10-6-5-9-16/h2-4,7-8,11H,5-6,9-10,16H2,1H3,(H,17,19)
InChIKeyIHGHYTVLKPZYEV-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.60
Rot. Bonds6

About N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine

N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine (PubChem CID 6410653) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine
PubChem CID6410653
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine
SMILESCc1cc(-c2ccccc2)nnc1NCCCCN
InChIInChI=1S/C15H20N4/c1-12-11-14(13-7-3-2-4-8-13)18-19-15(12)17-10-6-5-9-16/h2-4,7-8,11H,5-6,9-10,16H2,1H3,(H,17,19)
InChIKeyIHGHYTVLKPZYEV-UHFFFAOYSA-N
XLogP2.60
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.60
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'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine?
The IUPAC name of N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine (CID 6410653) is N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine.
What is the SMILES notation for N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine?
The canonical SMILES for N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine is Cc1cc(-c2ccccc2)nnc1NCCCCN.
What is the InChIKey of N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine?
The InChIKey is IHGHYTVLKPZYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12-11-14(13-7-3-2-4-8-13)18-19-15(12)17-10-6-5-9-16/h2-4,7-8,11H,5-6,9-10,16H2,1H3,(H,17,19).
What are the key properties of N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine?
N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine is sourced from PubChem (CID 6410653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).