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

C13H12F2N6O — CID 42949518

IUPACN-[1-[4-(difluoromethoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(Nc1ccc2nnnn2n1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H12F2N6O/c1-8(9-2-4-10(5-3-9)22-13(14)15)16-11-6-7-12-17-19-20-21(12)18-11/h2-8,13H,1H3,(H,16,18)
InChIKeyHXTOXBSVGALLSJ-UHFFFAOYSA-N
MW306.28 g/mol
LogP2.29
Rot. Bonds5

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

N-[1-[4-(difluoromethoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 42949518) has the molecular formula C13H12F2N6O and a molecular weight of 306.28 g/mol. Its IUPAC name is N-[1-[4-(difluoromethoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[1-[4-(difluoromethoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID42949518
Molecular FormulaC13H12F2N6O
Molecular Weight306.28 g/mol
Exact Mass306.10
IUPAC NameN-[1-[4-(difluoromethoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(Nc1ccc2nnnn2n1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H12F2N6O/c1-8(9-2-4-10(5-3-9)22-13(14)15)16-11-6-7-12-17-19-20-21(12)18-11/h2-8,13H,1H3,(H,16,18)
InChIKeyHXTOXBSVGALLSJ-UHFFFAOYSA-N
XLogP2.29
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-tert-butyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489323
N-[1-(3-bromophenyl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 112726128
N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 71860579
N-[1-(5-methylthiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 47371000
N-(1-cyclopropylethyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 47136349
N,N-dimethyl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide
CID 112727895
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoroaniline
CID 43099103
2-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 22965421
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-iodoaniline
CID 43124494
(1S)-1-[4-(difluoromethoxy)phenyl]-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 96531102
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,4-dimethylaniline
CID 43110389
4-(difluoromethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 43103644

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 42949518) is N-[1-[4-(difluoromethoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[1-[4-(difluoromethoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[1-[4-(difluoromethoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine is CC(Nc1ccc2nnnn2n1)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[1-[4-(difluoromethoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is HXTOXBSVGALLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N6O/c1-8(9-2-4-10(5-3-9)22-13(14)15)16-11-6-7-12-17-19-20-21(12)18-11/h2-8,13H,1H3,(H,16,18).
What are the key properties of N-[1-[4-(difluoromethoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[1-[4-(difluoromethoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 306.28 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 42949518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).