N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine

C16H20N6O2 — CID 133431135

IUPACN-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCOc1ccc(CC(C)CNc2ccc3nnnn3n2)cc1OC
InChIInChI=1S/C16H20N6O2/c1-11(8-12-4-5-13(23-2)14(9-12)24-3)10-17-15-6-7-16-18-20-21-22(16)19-15/h4-7,9,11H,8,10H2,1-3H3,(H,17,19)
InChIKeyHHHNUOGEICXKFD-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.83
Rot. Bonds7

About N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 133431135) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID133431135
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCOc1ccc(CC(C)CNc2ccc3nnnn3n2)cc1OC
InChIInChI=1S/C16H20N6O2/c1-11(8-12-4-5-13(23-2)14(9-12)24-3)10-17-15-6-7-16-18-20-21-22(16)19-15/h4-7,9,11H,8,10H2,1-3H3,(H,17,19)
InChIKeyHHHNUOGEICXKFD-UHFFFAOYSA-N
XLogP1.83
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methyl-3-methylsulfanylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 78957763
6-chloro-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-methylpyrimidin-4-amine
CID 133431138
N-(2-pyrrolidin-1-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 113222142
N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-b]pyrazin-6-amine
CID 133431137
N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-5-methylpyrimidin-2-amine
CID 133431166
3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64665230
N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133356553
N-[(2R)-3-(3,4-dimethoxyphenyl)-2-methylpropyl]acetamide
CID 97249003
(1R)-N,N-dimethyl-1-phenyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine
CID 40843444
4-(3-chloro-2-methylpropyl)-1,2-dimethoxybenzene
CID 64666940
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
N-[(1-methylcyclopropyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 103725068

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 133431135) is N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine is COc1ccc(CC(C)CNc2ccc3nnnn3n2)cc1OC.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is HHHNUOGEICXKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-11(8-12-4-5-13(23-2)14(9-12)24-3)10-17-15-6-7-16-18-20-21-22(16)19-15/h4-7,9,11H,8,10H2,1-3H3,(H,17,19).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 328.38 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 133431135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).