N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C17H17N5O — CID 133350806

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(N(C)C(C)c3cc4ccccc4o3)nn12
InChIInChI=1S/C17H17N5O/c1-11(15-10-13-6-4-5-7-14(13)23-15)21(3)17-9-8-16-19-18-12(2)22(16)20-17/h4-11H,1-3H3
InChIKeyKLVQDSAZUHXNDW-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.38
Rot. Bonds3

About N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133350806) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133350806
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(N(C)C(C)c3cc4ccccc4o3)nn12
InChIInChI=1S/C17H17N5O/c1-11(15-10-13-6-4-5-7-14(13)23-15)21(3)17-9-8-16-19-18-12(2)22(16)20-17/h4-11H,1-3H3
InChIKeyKLVQDSAZUHXNDW-UHFFFAOYSA-N
XLogP3.38
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine
CID 133433679
6-[1-(1-benzofuran-2-yl)ethyl-methylamino]pyridazine-3-carboxamide
CID 133350776
(1R)-1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine
CID 94026757
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyltetrazolo[1,5-b]pyridazin-6-amine
CID 71937501
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133350787
N-(1-benzofuran-2-ylmethyl)-3-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133492279
N-(1-benzofuran-2-ylmethyl)-N-methyl-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133492278
N-[1-(1-benzofuran-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 17487293
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 39976175
N-[1-(1-benzofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651191
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylcyclohex-2-en-1-amine
CID 56574292
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133350806) is N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1nnc2ccc(N(C)C(C)c3cc4ccccc4o3)nn12.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is KLVQDSAZUHXNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11(15-10-13-6-4-5-7-14(13)23-15)21(3)17-9-8-16-19-18-12(2)22(16)20-17/h4-11H,1-3H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 307.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133350806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).