N-[2-[4-(2-methylpropoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine

C16H20N6O — CID 133293005

IUPACN-[2-[4-(2-methylpropoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(C)COc1ccc(CCNc2ccc3nnnn3n2)cc1
InChIInChI=1S/C16H20N6O/c1-12(2)11-23-14-5-3-13(4-6-14)9-10-17-15-7-8-16-18-20-21-22(16)19-15/h3-8,12H,9-11H2,1-2H3,(H,17,19)
InChIKeyFZBHAXVAMJSXNE-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.21
Rot. Bonds7

About N-[2-[4-(2-methylpropoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[2-[4-(2-methylpropoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 133293005) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N-[2-[4-(2-methylpropoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[2-[4-(2-methylpropoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID133293005
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC NameN-[2-[4-(2-methylpropoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(C)COc1ccc(CCNc2ccc3nnnn3n2)cc1
InChIInChI=1S/C16H20N6O/c1-12(2)11-23-14-5-3-13(4-6-14)9-10-17-15-7-8-16-18-20-21-22(16)19-15/h3-8,12H,9-11H2,1-2H3,(H,17,19)
InChIKeyFZBHAXVAMJSXNE-UHFFFAOYSA-N
XLogP2.21
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
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-[3-(2-methylpropylsulfanyl)propyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 75432970
N-[2-(1,3-benzodioxol-5-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 16582468
N-(2-methoxypropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 102699023
N-hexyltetrazolo[1,5-b]pyridazin-6-amine
CID 52547064
N-octyltetrazolo[1,5-b]pyridazin-6-amine
CID 113337448
N-(2-methyl-3-methylsulfanylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 78957763
N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133431135
(2S)-2-N,2-N-diethyl-4-methyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)pentane-1,2-diamine
CID 25469022
N-(2-thiophen-2-ylethyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 47136338
N-[2-(cyclopenten-1-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 103844181
N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133415181
tert-butyl N-[2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethyl]carbamate
CID 47453715

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylpropoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[2-[4-(2-methylpropoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 133293005) is N-[2-[4-(2-methylpropoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[2-[4-(2-methylpropoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[2-[4-(2-methylpropoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine is CC(C)COc1ccc(CCNc2ccc3nnnn3n2)cc1.
What is the InChIKey of N-[2-[4-(2-methylpropoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is FZBHAXVAMJSXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-12(2)11-23-14-5-3-13(4-6-14)9-10-17-15-7-8-16-18-20-21-22(16)19-15/h3-8,12H,9-11H2,1-2H3,(H,17,19).
What are the key properties of N-[2-[4-(2-methylpropoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[2-[4-(2-methylpropoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 312.38 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methylpropoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 133293005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).