N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyltetrazolo[1,5-b]pyridazin-6-amine

C16H16N6O — CID 71937501

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-N-ethyltetrazolo[1,5-b]pyridazin-6-amine
SMILESCCN(c1ccc2nnnn2n1)C(C)c1cc2ccccc2o1
InChIInChI=1S/C16H16N6O/c1-3-21(16-9-8-15-17-19-20-22(15)18-16)11(2)14-10-12-6-4-5-7-13(12)23-14/h4-11H,3H2,1-2H3
InChIKeyFHBXPNDMGRRHMT-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.85
Rot. Bonds4

About N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyltetrazolo[1,5-b]pyridazin-6-amine

N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyltetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 71937501) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyltetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-N-ethyltetrazolo[1,5-b]pyridazin-6-amine
PubChem CID71937501
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-N-ethyltetrazolo[1,5-b]pyridazin-6-amine
SMILESCCN(c1ccc2nnnn2n1)C(C)c1cc2ccccc2o1
InChIInChI=1S/C16H16N6O/c1-3-21(16-9-8-15-17-19-20-22(15)18-16)11(2)14-10-12-6-4-5-7-13(12)23-14/h4-11H,3H2,1-2H3
InChIKeyFHBXPNDMGRRHMT-UHFFFAOYSA-N
XLogP2.85
TPSA72.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine
CID 133355593
N-[1-(1-benzofuran-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 17487293
N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133350806
N-(2-bromoethyl)-N-pentan-3-yltetrazolo[1,5-b]pyridazin-6-amine
CID 80680191
(1R)-1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine
CID 94026757
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 39976175
2-butan-2-yl-1-benzofuran
CID 12065919
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 106618801
1-(1-benzofuran-2-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 86843175
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine
CID 133433679
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-methylbutanamide
CID 60574738
2-[(1R)-3-methyl-1-phenylbutyl]-1-benzofuran
CID 134949472

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyltetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyltetrazolo[1,5-b]pyridazin-6-amine (CID 71937501) is N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyltetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyltetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyltetrazolo[1,5-b]pyridazin-6-amine is CCN(c1ccc2nnnn2n1)C(C)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyltetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is FHBXPNDMGRRHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-3-21(16-9-8-15-17-19-20-22(15)18-16)11(2)14-10-12-6-4-5-7-13(12)23-14/h4-11H,3H2,1-2H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyltetrazolo[1,5-b]pyridazin-6-amine?
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyltetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 308.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyltetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 71937501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).