N,N'-dimethyl-N'-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,3-diamine

C13H19N5 — CID 116973443

IUPACN,N'-dimethyl-N'-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,3-diamine
SMILESCNCCCN(C)c1ccc(-c2ccc[nH]2)nn1
InChIInChI=1S/C13H19N5/c1-14-8-4-10-18(2)13-7-6-12(16-17-13)11-5-3-9-15-11/h3,5-7,9,14-15H,4,8,10H2,1-2H3
InChIKeyRNESDKOLPSAREX-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.52
Rot. Bonds6

About N,N'-dimethyl-N'-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,3-diamine

N,N'-dimethyl-N'-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,3-diamine (PubChem CID 116973443) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,3-diamine
PubChem CID116973443
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN,N'-dimethyl-N'-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,3-diamine
SMILESCNCCCN(C)c1ccc(-c2ccc[nH]2)nn1
InChIInChI=1S/C13H19N5/c1-14-8-4-10-18(2)13-7-6-12(16-17-13)11-5-3-9-15-11/h3,5-7,9,14-15H,4,8,10H2,1-2H3
InChIKeyRNESDKOLPSAREX-UHFFFAOYSA-N
XLogP1.52
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.52
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'-[6-(4-bromophenyl)pyridazin-3-yl]-N,N'-dimethylpropane-1,3-diamine
CID 116973442
N,N'-dimethyl-N'-(6-thiophen-2-ylpyridazin-3-yl)propane-1,3-diamine
CID 116973440
methyl-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]cyanamide
CID 116973807
3,6-bis(1H-pyrrol-2-yl)pyridazine
CID 102440417
4-N-methyl-4-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]benzene-1,4-diamine
CID 116973579
3-[methyl-(6-phenylpyridazin-3-yl)amino]propan-1-ol
CID 116973664
N,N'-dimethyl-N'-[6-(oxan-4-yl)pyridazin-3-yl]propane-1,3-diamine
CID 116973452
N-methyl-3-[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]propan-1-amine
CID 116898152
3-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]propan-1-ol
CID 116973670
3-[[6-(4-fluorophenyl)pyridazin-3-yl]-methylamino]propan-1-ol
CID 116973666
2-N,2-dimethyl-1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine
CID 116971655
3-[[6-(1H-pyrrol-2-yl)pyridazin-3-yl]amino]propanenitrile
CID 116971941

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-N'-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,3-diamine (CID 116973443) is N,N'-dimethyl-N'-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,3-diamine is CNCCCN(C)c1ccc(-c2ccc[nH]2)nn1.
What is the InChIKey of N,N'-dimethyl-N'-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,3-diamine?
The InChIKey is RNESDKOLPSAREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-14-8-4-10-18(2)13-7-6-12(16-17-13)11-5-3-9-15-11/h3,5-7,9,14-15H,4,8,10H2,1-2H3.
What are the key properties of N,N'-dimethyl-N'-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,3-diamine?
N,N'-dimethyl-N'-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,3-diamine has a molecular weight of 245.33 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,3-diamine is sourced from PubChem (CID 116973443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).