N'-(5-methylpyridazin-3-yl)propane-1,3-diamine

C8H14N4 — CID 106549356

IUPACN'-(5-methylpyridazin-3-yl)propane-1,3-diamine
SMILESCc1cnnc(NCCCN)c1
InChIInChI=1S/C8H14N4/c1-7-5-8(12-11-6-7)10-4-2-3-9/h5-6H,2-4,9H2,1H3,(H,10,12)
InChIKeyNDGOKXVCADITOQ-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.55
Rot. Bonds4

About N'-(5-methylpyridazin-3-yl)propane-1,3-diamine

N'-(5-methylpyridazin-3-yl)propane-1,3-diamine (PubChem CID 106549356) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is N'-(5-methylpyridazin-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-methylpyridazin-3-yl)propane-1,3-diamine
PubChem CID106549356
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC NameN'-(5-methylpyridazin-3-yl)propane-1,3-diamine
SMILESCc1cnnc(NCCCN)c1
InChIInChI=1S/C8H14N4/c1-7-5-8(12-11-6-7)10-4-2-3-9/h5-6H,2-4,9H2,1H3,(H,10,12)
InChIKeyNDGOKXVCADITOQ-UHFFFAOYSA-N
XLogP0.55
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.55
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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Related Compounds

N'-(5-methylpyridazin-3-yl)pentane-1,5-diamine
CID 107323443
N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine
CID 107845062
3-[(5-methylpyridazin-3-yl)amino]propane-1-sulfonamide
CID 106549682
5-methyl-N-pent-4-ynylpyridazin-3-amine
CID 106222465
5-[(5-methylpyridazin-3-yl)amino]pentan-2-ol
CID 106128597
5-methyl-N-(3-propoxypropyl)pyridazin-3-amine
CID 106549900
N-[2-[(5-methylpyridazin-3-yl)amino]ethyl]acetamide
CID 106549525
5-methyl-N-(4-propan-2-yloxybutyl)pyridazin-3-amine
CID 106012460
N-(5-chloro-4-methylpentyl)-5-methylpyridazin-3-amine
CID 106154444
N-but-3-ynyl-5-methylpyridazin-3-amine
CID 106549778
N'-(4,6-dimethyl-2-pyridinyl)propane-1,3-diamine
CID 83828114
5-methyl-N-pent-3-ynylpyridazin-3-amine
CID 106550017

Frequently Asked Questions

What is the IUPAC name of N'-(5-methylpyridazin-3-yl)propane-1,3-diamine?
The IUPAC name of N'-(5-methylpyridazin-3-yl)propane-1,3-diamine (CID 106549356) is N'-(5-methylpyridazin-3-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(5-methylpyridazin-3-yl)propane-1,3-diamine?
The canonical SMILES for N'-(5-methylpyridazin-3-yl)propane-1,3-diamine is Cc1cnnc(NCCCN)c1.
What is the InChIKey of N'-(5-methylpyridazin-3-yl)propane-1,3-diamine?
The InChIKey is NDGOKXVCADITOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-7-5-8(12-11-6-7)10-4-2-3-9/h5-6H,2-4,9H2,1H3,(H,10,12).
What are the key properties of N'-(5-methylpyridazin-3-yl)propane-1,3-diamine?
N'-(5-methylpyridazin-3-yl)propane-1,3-diamine has a molecular weight of 166.23 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methylpyridazin-3-yl)propane-1,3-diamine is sourced from PubChem (CID 106549356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).