N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine

C16H20N6O — CID 133356553

IUPACN-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCOc1ccccc1CC(Nc1ccc2nnnn2n1)C(C)C
InChIInChI=1S/C16H20N6O/c1-11(2)13(10-12-6-4-5-7-14(12)23-3)17-15-8-9-16-18-20-21-22(16)19-15/h4-9,11,13H,10H2,1-3H3,(H,17,19)
InChIKeyFFTXTMYGDWHBHN-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.21
Rot. Bonds6

About N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine

N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 133356553) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID133356553
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC NameN-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCOc1ccccc1CC(Nc1ccc2nnnn2n1)C(C)C
InChIInChI=1S/C16H20N6O/c1-11(2)13(10-12-6-4-5-7-14(12)23-3)17-15-8-9-16-18-20-21-22(16)19-15/h4-9,11,13H,10H2,1-3H3,(H,17,19)
InChIKeyFFTXTMYGDWHBHN-UHFFFAOYSA-N
XLogP2.21
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]tetrazolo[1,5-b]pyridazin-6-amine
CID 56816190
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N-[1-(1-benzofuran-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 17487293
N-(1-methoxy-2-methylpropan-2-yl)tetrazolo[1,5-b]pyridazin-6-amine
CID 115606699
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CID 112726128
N-[3-[(2-methylphenyl)methoxy]phenyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133302114
N-[1-[4-(difluoromethoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 42949518
N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 116720261
N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119813108
N-[1-(5-methylthiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 47371000
N-(2-pyrrolidin-1-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 113222142
1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]urea
CID 111631492

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine (CID 133356553) is N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine is COc1ccccc1CC(Nc1ccc2nnnn2n1)C(C)C.
What is the InChIKey of N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is FFTXTMYGDWHBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-11(2)13(10-12-6-4-5-7-14(12)23-3)17-15-8-9-16-18-20-21-22(16)19-15/h4-9,11,13H,10H2,1-3H3,(H,17,19).
What are the key properties of N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 312.38 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 133356553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).