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

C13H12N6O2 — CID 16582468

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESc1cc2c(cc1CCNc1ccc3nnnn3n1)OCO2
InChIInChI=1S/C13H12N6O2/c1-2-10-11(21-8-20-10)7-9(1)5-6-14-12-3-4-13-15-17-18-19(13)16-12/h1-4,7H,5-6,8H2,(H,14,16)
InChIKeySWLFREITJARCLT-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.90
Rot. Bonds4

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

N-[2-(1,3-benzodioxol-5-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 16582468) has the molecular formula C13H12N6O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID16582468
Molecular FormulaC13H12N6O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESc1cc2c(cc1CCNc1ccc3nnnn3n1)OCO2
InChIInChI=1S/C13H12N6O2/c1-2-10-11(21-8-20-10)7-9(1)5-6-14-12-3-4-13-15-17-18-19(13)16-12/h1-4,7H,5-6,8H2,(H,14,16)
InChIKeySWLFREITJARCLT-UHFFFAOYSA-N
XLogP0.90
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 16581971
N-[2-[4-(2-methylpropoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133293005
6-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,4-N-bis(1,3-benzodioxol-5-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 177395032
4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-chloropyrimidine-2,4-diamine
CID 31537868
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-nitropyridin-2-amine
CID 16564066
N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 133432124
N-hexyltetrazolo[1,5-b]pyridazin-6-amine
CID 52547064
4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[2-(3-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112873047
N-(1,3-benzodioxol-5-ylmethyl)-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109120429
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133295546
2-(1,3-benzodioxol-5-yl)-N-(trifluoromethyl)ethanamine
CID 167488935
3-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 126470014

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 16582468) is N-[2-(1,3-benzodioxol-5-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine is c1cc2c(cc1CCNc1ccc3nnnn3n1)OCO2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is SWLFREITJARCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2/c1-2-10-11(21-8-20-10)7-9(1)5-6-14-12-3-4-13-15-17-18-19(13)16-12/h1-4,7H,5-6,8H2,(H,14,16).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[2-(1,3-benzodioxol-5-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 284.28 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 16582468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).