N'-methyl-N'-phenyl-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine

C14H17N7 — CID 17470486

IUPACN'-methyl-N'-phenyl-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine
SMILESCN(CCCNc1ccc2nnnn2n1)c1ccccc1
InChIInChI=1S/C14H17N7/c1-20(12-6-3-2-4-7-12)11-5-10-15-13-8-9-14-16-18-19-21(14)17-13/h2-4,6-9H,5,10-11H2,1H3,(H,15,17)
InChIKeyYNPZVJUJOCZZQM-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.46
Rot. Bonds6

About N'-methyl-N'-phenyl-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine

N'-methyl-N'-phenyl-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine (PubChem CID 17470486) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is N'-methyl-N'-phenyl-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-phenyl-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine
PubChem CID17470486
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC NameN'-methyl-N'-phenyl-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine
SMILESCN(CCCNc1ccc2nnnn2n1)c1ccccc1
InChIInChI=1S/C14H17N7/c1-20(12-6-3-2-4-7-12)11-5-10-15-13-8-9-14-16-18-19-21(14)17-13/h2-4,6-9H,5,10-11H2,1H3,(H,15,17)
InChIKeyYNPZVJUJOCZZQM-UHFFFAOYSA-N
XLogP1.46
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-phenyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine
CID 51107796
N-hexyltetrazolo[1,5-b]pyridazin-6-amine
CID 52547064
N-(3-methylsulfinylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 115620446
N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 125432939
6-[3-(N-methylanilino)propylamino]pyridazine-3-carboxamide
CID 79006061
N'-methyl-N'-phenyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine
CID 115372311
6-N-methyl-2-N-[3-(N-methylanilino)propyl]pyrazine-2,6-diamine
CID 80784811
N-[3-(4-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 24590303
N'-methyl-N-(6-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine
CID 61226497
6-N-ethyl-4-N-[3-(N-methylanilino)propyl]pyrimidine-4,6-diamine
CID 80771230
N-(6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 80932869
N-(6-chloropyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 60726185

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-phenyl-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-phenyl-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine (CID 17470486) is N'-methyl-N'-phenyl-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-phenyl-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-phenyl-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine is CN(CCCNc1ccc2nnnn2n1)c1ccccc1.
What is the InChIKey of N'-methyl-N'-phenyl-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine?
The InChIKey is YNPZVJUJOCZZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c1-20(12-6-3-2-4-7-12)11-5-10-15-13-8-9-14-16-18-19-21(14)17-13/h2-4,6-9H,5,10-11H2,1H3,(H,15,17).
What are the key properties of N'-methyl-N'-phenyl-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine?
N'-methyl-N'-phenyl-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine has a molecular weight of 283.34 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-phenyl-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine is sourced from PubChem (CID 17470486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).