N-(2,2-dimethyl-5-phenylpentyl)tetrazolo[1,5-b]pyridazin-6-amine

C17H22N6 — CID 133312537

IUPACN-(2,2-dimethyl-5-phenylpentyl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(C)(CCCc1ccccc1)CNc1ccc2nnnn2n1
InChIInChI=1S/C17H22N6/c1-17(2,12-6-9-14-7-4-3-5-8-14)13-18-15-10-11-16-19-21-22-23(16)20-15/h3-5,7-8,10-11H,6,9,12-13H2,1-2H3,(H,18,20)
InChIKeyXYKFVQPJYJOUTJ-UHFFFAOYSA-N
MW310.41 g/mol
LogP2.98
Rot. Bonds7

About N-(2,2-dimethyl-5-phenylpentyl)tetrazolo[1,5-b]pyridazin-6-amine

N-(2,2-dimethyl-5-phenylpentyl)tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 133312537) has the molecular formula C17H22N6 and a molecular weight of 310.41 g/mol. Its IUPAC name is N-(2,2-dimethyl-5-phenylpentyl)tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-5-phenylpentyl)tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID133312537
Molecular FormulaC17H22N6
Molecular Weight310.41 g/mol
Exact Mass310.19
IUPAC NameN-(2,2-dimethyl-5-phenylpentyl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(C)(CCCc1ccccc1)CNc1ccc2nnnn2n1
InChIInChI=1S/C17H22N6/c1-17(2,12-6-9-14-7-4-3-5-8-14)13-18-15-10-11-16-19-21-22-23(16)20-15/h3-5,7-8,10-11H,6,9,12-13H2,1-2H3,(H,18,20)
InChIKeyXYKFVQPJYJOUTJ-UHFFFAOYSA-N
XLogP2.98
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,2-dimethylbutyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 103462537
2,2-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine
CID 115366197
2-ethyl-2-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]butan-1-ol
CID 113334685
1-(dimethylamino)-2-methyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-2-ol
CID 113320128
N'-methyl-N'-phenyl-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine
CID 17470486
N-hexyltetrazolo[1,5-b]pyridazin-6-amine
CID 52547064
N-octyltetrazolo[1,5-b]pyridazin-6-amine
CID 113337448
N-(3-methylsulfinylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 115620446
N-(2-methyl-2-morpholin-4-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 17449664
N-[(2-phenylmethoxy-4-pyridinyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 60505324
2,2-dimethyl-5-phenyl-N-propylpentan-1-amine
CID 55107021
N-(1-methoxy-2-methylpropan-2-yl)tetrazolo[1,5-b]pyridazin-6-amine
CID 115606699

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-5-phenylpentyl)tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-(2,2-dimethyl-5-phenylpentyl)tetrazolo[1,5-b]pyridazin-6-amine (CID 133312537) is N-(2,2-dimethyl-5-phenylpentyl)tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-(2,2-dimethyl-5-phenylpentyl)tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-(2,2-dimethyl-5-phenylpentyl)tetrazolo[1,5-b]pyridazin-6-amine is CC(C)(CCCc1ccccc1)CNc1ccc2nnnn2n1.
What is the InChIKey of N-(2,2-dimethyl-5-phenylpentyl)tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is XYKFVQPJYJOUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-17(2,12-6-9-14-7-4-3-5-8-14)13-18-15-10-11-16-19-21-22-23(16)20-15/h3-5,7-8,10-11H,6,9,12-13H2,1-2H3,(H,18,20).
What are the key properties of N-(2,2-dimethyl-5-phenylpentyl)tetrazolo[1,5-b]pyridazin-6-amine?
N-(2,2-dimethyl-5-phenylpentyl)tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 310.41 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-5-phenylpentyl)tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 133312537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).